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# RI basis set for H (all-electron) relative DI metric: 1.5e-02
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_002_s_p_d_f_g_h_i_2_0_0_0_0_0_0_error_1.5e-02
2
1 0 0 1 1
0.6364837502 1.0000000000
2 0 0 1 1
2.4579249207 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 3.0e-03
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_3.0e-03
3
1 0 0 1 1
0.2552786857 1.0000000000
2 0 0 1 1
3.6198122915 1.0000000000
3 1 1 1 1
0.7007968815 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 2.7e-04
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_2.7e-04
4
1 0 0 1 1
0.3105445218 1.0000000000
2 0 0 1 1
0.9651256425 1.0000000000
3 0 0 1 1
3.0949772213 1.0000000000
4 1 1 1 1
0.5432074796 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-04
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_008_s_p_d_f_g_h_i_5_1_0_0_0_0_0_error_1.3e-04
6
1 0 0 1 1
0.2785826321 1.0000000000
2 0 0 1 1
0.5879680481 1.0000000000
3 0 0 1 1
1.2072643744 1.0000000000
4 0 0 1 1
2.6693395645 1.0000000000
5 0 0 1 1
5.2394990941 1.0000000000
6 1 1 1 1
0.4900456184 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-06
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_1.3e-06
7
1 0 0 1 1
0.2200602014 1.0000000000
2 0 0 1 1
0.4399905525 1.0000000000
3 0 0 1 1
1.2502261621 1.0000000000
4 0 0 1 1
3.6298498522 1.0000000000
5 0 0 1 1
7.0326865470 1.0000000000
6 1 1 1 1
0.2492167327 1.0000000000
7 1 1 1 1
1.5273474371 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.7e-07
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_018_s_p_d_f_g_h_i_6_4_0_0_0_0_0_error_4.7e-07
10
1 0 0 1 1
0.2369109995 1.0000000000
2 0 0 1 1
0.5060539998 1.0000000000
3 0 0 1 1
0.9942179999 1.0000000000
4 0 0 1 1
1.7751000000 1.0000000000
5 0 0 1 1
4.9229699991 1.0000000000
6 0 0 1 1
23.3214999998 1.0000000000
7 1 1 1 1
0.3478919970 1.0000000000
8 1 1 1 1
0.6223361128 1.0000000000
9 1 1 1 1
1.1132829667 1.0000000000
10 1 1 1 1
1.9915266663 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 3.5e-08
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_3.5e-08
13
1 0 0 1 1
0.2369110000 1.0000000000
2 0 0 1 1
0.4238968856 1.0000000000
3 0 0 1 1
0.7584644429 1.0000000000
4 0 0 1 1
1.3570949226 1.0000000000
5 0 0 1 1
2.4282043094 1.0000000000
6 0 0 1 1
4.3447043169 1.0000000000
7 0 0 1 1
7.7738333333 1.0000000000
8 1 1 1 1
0.3478920000 1.0000000000
9 1 1 1 1
0.4931656038 1.0000000000
10 1 1 1 1
0.6991029192 1.0000000000
11 1 1 1 1
0.9910360493 1.0000000000
12 1 1 1 1
1.4048753396 1.0000000000
13 1 1 1 1
1.9915266667 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-08
H RI_aug-SZV-MOLOPT-ae-SR_N_RI_035_s_p_d_f_g_h_i_7_6_2_0_0_0_0_error_1.3e-08
15
1 0 0 1 1
0.2369110000 1.0000000000
2 0 0 1 1
0.4238968856 1.0000000000
3 0 0 1 1
0.7584644429 1.0000000000
4 0 0 1 1
1.3570949226 1.0000000000
5 0 0 1 1
2.4282043094 1.0000000000
6 0 0 1 1
4.3447043169 1.0000000000
7 0 0 1 1
7.7738333333 1.0000000000
8 1 1 1 1
0.3478920000 1.0000000000
9 1 1 1 1
0.4931656038 1.0000000000
10 1 1 1 1
0.6991029192 1.0000000000
11 1 1 1 1
0.9910360493 1.0000000000
12 1 1 1 1
1.4048753396 1.0000000000
13 1 1 1 1
1.9915266667 1.0000000000
14 2 2 1 1
0.6253660000 1.0000000000
15 2 2 1 1
1.2860533333 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-02
H RI_aug-SZV-MOLOPT-ae_N_RI_002_s_p_d_f_g_h_i_2_0_0_0_0_0_0_error_1.3e-02
2
1 0 0 1 1
0.4805569653 1.0000000000
2 0 0 1 1
2.1834666323 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.3e-04
H RI_aug-SZV-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.3e-04
4
1 0 0 1 1
0.4327270288 1.0000000000
2 0 0 1 1
1.0802448276 1.0000000000
3 0 0 1 1
4.1159522843 1.0000000000
4 1 1 1 1
0.3741982228 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.4e-05
H RI_aug-SZV-MOLOPT-ae_N_RI_007_s_p_d_f_g_h_i_4_1_0_0_0_0_0_error_4.4e-05
5
1 0 0 1 1
0.1487770976 1.0000000000
2 0 0 1 1
0.5105034533 1.0000000000
3 0 0 1 1
1.1063661205 1.0000000000
4 0 0 1 1
5.9552917212 1.0000000000
5 1 1 1 1
0.3674521516 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 2.4e-06
H RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_2.4e-06
6
1 0 0 1 1
0.1764834857 1.0000000000
2 0 0 1 1
0.4925801649 1.0000000000
3 0 0 1 1
1.1727895186 1.0000000000
4 0 0 1 1
4.9135650575 1.0000000000
5 1 1 1 1
0.2711921775 1.0000000000
6 1 1 1 1
1.6074447029 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 9.8e-07
H RI_aug-SZV-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_9.8e-07
7
1 0 0 1 1
0.2170009784 1.0000000000
2 0 0 1 1
0.4410485534 1.0000000000
3 0 0 1 1
1.0542154011 1.0000000000
4 0 0 1 1
2.7792232468 1.0000000000
5 0 0 1 1
8.8765570199 1.0000000000
6 1 1 1 1
0.2325795252 1.0000000000
7 1 1 1 1
1.3163036644 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 3.4e-07
H RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_3.4e-07
10
1 0 0 1 1
0.2350618650 1.0000000000
2 0 0 1 1
0.5052340022 1.0000000000
3 0 0 1 1
0.9936556058 1.0000000000
4 0 0 1 1
1.7749267927 1.0000000000
5 0 0 1 1
4.9213708088 1.0000000000
6 0 0 1 1
23.3219919414 1.0000000000
7 1 1 1 1
0.2635391247 1.0000000000
8 1 1 1 1
0.8270918706 1.0000000000
9 1 1 1 1
1.9826522887 1.0000000000
10 2 2 1 1
0.9794814801 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.1e-07
H RI_aug-SZV-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_7_3_2_0_0_0_0_error_1.1e-07
12
1 0 0 1 1
0.2241441298 1.0000000000
2 0 0 1 1
0.4188097859 1.0000000000
3 0 0 1 1
0.7544730669 1.0000000000
4 0 0 1 1
1.3556095300 1.0000000000
5 0 0 1 1
2.4300856355 1.0000000000
6 0 0 1 1
4.3510092418 1.0000000000
7 0 0 1 1
7.8363248142 1.0000000000
8 1 1 1 1
0.1298778793 1.0000000000
9 1 1 1 1
0.4403713398 1.0000000000
10 1 1 1 1
1.4931481731 1.0000000000
11 2 2 1 1
0.6205955943 1.0000000000
12 2 2 1 1
1.2340233898 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 5.1e-08
H RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_7_6_2_0_0_0_0_error_5.1e-08
15
1 0 0 1 1
0.2369109999 1.0000000000
2 0 0 1 1
0.4238968856 1.0000000000
3 0 0 1 1
0.7584644429 1.0000000000
4 0 0 1 1
1.3570949225 1.0000000000
5 0 0 1 1
2.4282043094 1.0000000000
6 0 0 1 1
4.3447043169 1.0000000000
7 0 0 1 1
7.7738333335 1.0000000000
8 1 1 1 1
0.3478920000 1.0000000000
9 1 1 1 1
0.4931656038 1.0000000000
10 1 1 1 1
0.6991029192 1.0000000000
11 1 1 1 1
0.9910360493 1.0000000000
12 1 1 1 1
1.4048753396 1.0000000000
13 1 1 1 1
1.9915266667 1.0000000000
14 2 2 1 1
0.6253660000 1.0000000000
15 2 2 1 1
1.2860533333 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 2.9e-03
H RI_aug-DZVP-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_2.9e-03
3
1 0 0 1 1
0.6020328442 1.0000000000
2 0 0 1 1
2.0551121420 1.0000000000
3 1 1 1 1
1.1065929596 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.4e-05
H RI_aug-DZVP-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_4.4e-05
5
1 0 0 1 1
0.3735675702 1.0000000000
2 0 0 1 1
0.8864765188 1.0000000000
3 0 0 1 1
5.0288475332 1.0000000000
4 1 1 1 1
0.3303148160 1.0000000000
5 1 1 1 1
1.4513187711 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.6e-05
H RI_aug-DZVP-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_1.6e-05
7
1 0 0 1 1
0.2819663791 1.0000000000
2 0 0 1 1
0.6323106124 1.0000000000
3 0 0 1 1
1.7000274384 1.0000000000
4 0 0 1 1
9.3565662629 1.0000000000
5 1 1 1 1
0.2117538520 1.0000000000
6 1 1 1 1
0.6280621919 1.0000000000
7 1 1 1 1
1.8253246023 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 6.3e-07
H RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_6.3e-07
8
1 0 0 1 1
0.2427161444 1.0000000000
2 0 0 1 1
0.5773799365 1.0000000000
3 0 0 1 1
1.7983762709 1.0000000000
4 0 0 1 1
9.5769277682 1.0000000000
5 1 1 1 1
0.2318801459 1.0000000000
6 1 1 1 1
0.6342948358 1.0000000000
7 1 1 1 1
1.9313895689 1.0000000000
8 2 2 1 1
1.2035077028 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.5e-07
H RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_1.5e-07
9
1 0 0 1 1
0.1541784933 1.0000000000
2 0 0 1 1
0.4872638522 1.0000000000
3 0 0 1 1
1.2896085706 1.0000000000
4 0 0 1 1
2.7708466656 1.0000000000
5 0 0 1 1
9.1784327278 1.0000000000
6 1 1 1 1
0.2591148909 1.0000000000
7 1 1 1 1
0.6397858506 1.0000000000
8 1 1 1 1
1.9839356512 1.0000000000
9 2 2 1 1
1.5281545369 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 6.1e-08
H RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_5_3_2_1_0_0_0_error_6.1e-08
11
1 0 0 1 1
0.1629095425 1.0000000000
2 0 0 1 1
0.4154636073 1.0000000000
3 0 0 1 1
1.2377267256 1.0000000000
4 0 0 1 1
3.1601335660 1.0000000000
5 0 0 1 1
9.9061915067 1.0000000000
6 1 1 1 1
0.2266362479 1.0000000000
7 1 1 1 1
0.6650698011 1.0000000000
8 1 1 1 1
1.9905989356 1.0000000000
9 2 2 1 1
0.8366461724 1.0000000000
10 2 2 1 1
1.3744872974 1.0000000000
11 3 3 1 1
1.3312038025 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 2.9e-08
H RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_7_6_3_1_0_0_0_error_2.9e-08
17
1 0 0 1 1
0.2369110000 1.0000000000
2 0 0 1 1
0.4238968856 1.0000000000
3 0 0 1 1
0.7584644429 1.0000000000
4 0 0 1 1
1.3570949226 1.0000000000
5 0 0 1 1
2.4282043095 1.0000000000
6 0 0 1 1
4.3447043169 1.0000000000
7 0 0 1 1
7.7738333335 1.0000000000
8 1 1 1 1
0.3478920000 1.0000000000
9 1 1 1 1
0.4931656038 1.0000000000
10 1 1 1 1
0.6991029192 1.0000000000
11 1 1 1 1
0.9910360493 1.0000000000
12 1 1 1 1
1.4048753396 1.0000000000
13 1 1 1 1
1.9915266666 1.0000000000
14 2 2 1 1
0.6253660000 1.0000000000
15 2 2 1 1
0.8968021124 1.0000000000
16 2 2 1 1
1.2860533334 1.0000000000
17 3 3 1 1
1.1981100000 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 9.0e-03
H RI_aug-TZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_9.0e-03
5
1 0 0 1 1
0.4920300024 1.0000000000
2 0 0 1 1
1.6049088854 1.0000000000
3 0 0 1 1
9.4056393035 1.0000000000
4 1 1 1 1
1.2220981421 1.0000000000
5 2 2 1 1
1.2033086289 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 5.9e-04
H RI_aug-TZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_5.9e-04
7
1 0 0 1 1
0.4222122864 1.0000000000
2 0 0 1 1
0.9645053830 1.0000000000
3 0 0 1 1
3.4608046993 1.0000000000
4 0 0 1 1
10.6963281183 1.0000000000
5 1 1 1 1
0.5289683271 1.0000000000
6 1 1 1 1
2.1250573245 1.0000000000
7 2 2 1 1
1.3115890895 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 1.0e-04
H RI_aug-TZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_1.0e-04
8
1 0 0 1 1
0.3227056137 1.0000000000
2 0 0 1 1
1.1861118630 1.0000000000
3 0 0 1 1
4.3595819219 1.0000000000
4 0 0 1 1
16.0237478615 1.0000000000
5 1 1 1 1
0.5037358136 1.0000000000
6 1 1 1 1
1.8993450245 1.0000000000
7 2 2 1 1
0.4561915998 1.0000000000
8 2 2 1 1
1.5673930803 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.6e-05
H RI_aug-TZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_4.6e-05
9
1 0 0 1 1
0.4870324295 1.0000000000
2 0 0 1 1
1.7744452734 1.0000000000
3 0 0 1 1
6.4649822623 1.0000000000
4 0 0 1 1
23.5544011224 1.0000000000
5 1 1 1 1
0.1997035395 1.0000000000
6 1 1 1 1
0.5877622634 1.0000000000
7 1 1 1 1
2.1620970442 1.0000000000
8 2 2 1 1
0.3710609969 1.0000000000
9 2 2 1 1
1.4863697565 1.0000000000
# RI basis set for H (all-electron) relative DI metric: 4.5e-06
H RI_aug-TZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_6_5_2_0_0_0_0_error_4.5e-06
13
1 0 0 1 1
0.2249316285 1.0000000000
2 0 0 1 1
0.4979081683 1.0000000000
3 0 0 1 1
0.9872873263 1.0000000000
4 0 0 1 1
1.7846470216 1.0000000000
5 0 0 1 1
5.1187494220 1.0000000000
6 0 0 1 1
26.8039600727 1.0000000000
7 1 1 1 1
0.2794776723 1.0000000000
8 1 1 1 1
0.5310113443 1.0000000000
9 1 1 1 1
1.5185390663 1.0000000000
10 1 1 1 1
6.8263430324 1.0000000000
11 1 1 1 1
18.2662499465 1.0000000000
12 2 2 1 1
0.4693442359 1.0000000000
13 2 2 1 1
1.4730352119 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 4.2e-03
He RI_aug-SZV-MOLOPT-ae_N_RI_003_s_p_d_f_g_h_i_3_0_0_0_0_0_0_error_4.2e-03
3
1 0 0 1 1
0.2928573659 1.0000000000
2 0 0 1 1
2.6608694544 1.0000000000
3 0 0 1 1
11.9714078591 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 2.5e-06
He RI_aug-SZV-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_6_1_0_0_0_0_0_error_2.5e-06
7
1 0 0 1 1
0.2767048707 1.0000000000
2 0 0 1 1
0.8362575869 1.0000000000
3 0 0 1 1
2.0077680651 1.0000000000
4 0 0 1 1
4.9747970507 1.0000000000
5 0 0 1 1
15.6006625991 1.0000000000
6 0 0 1 1
69.8876707484 1.0000000000
7 1 1 1 1
0.3001402433 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 7.2e-07
He RI_aug-SZV-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_6_4_0_0_0_0_0_error_7.2e-07
10
1 0 0 1 1
0.3281284314 1.0000000000
2 0 0 1 1
0.8455612806 1.0000000000
3 0 0 1 1
2.0026886479 1.0000000000
4 0 0 1 1
5.0111238866 1.0000000000
5 0 0 1 1
15.5809589082 1.0000000000
6 0 0 1 1
69.9393812976 1.0000000000
7 1 1 1 1
0.3663977236 1.0000000000
8 1 1 1 1
0.8930771227 1.0000000000
9 1 1 1 1
1.9514158980 1.0000000000
10 1 1 1 1
4.1899471264 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.4e-07
He RI_aug-SZV-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_1.4e-07
13
1 0 0 1 1
0.3443410323 1.0000000000
2 0 0 1 1
0.7411806536 1.0000000000
3 0 0 1 1
1.4800690631 1.0000000000
4 0 0 1 1
2.9448035261 1.0000000000
5 0 0 1 1
5.8770659493 1.0000000000
6 0 0 1 1
11.7021618371 1.0000000000
7 0 0 1 1
23.3290181415 1.0000000000
8 1 1 1 1
0.3187967579 1.0000000000
9 1 1 1 1
0.7176523604 1.0000000000
10 1 1 1 1
1.6155274402 1.0000000000
11 1 1 1 1
3.6367593196 1.0000000000
12 2 2 1 1
3.5200600000 1.0000000000
13 3 3 1 1
5.4484895350 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 8.4e-03
He RI_aug-DZVP-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_8.4e-03
3
1 0 0 1 1
0.5800765063 1.0000000000
2 0 0 1 1
4.9791481247 1.0000000000
3 1 1 1 1
1.5526672041 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.8e-04
He RI_aug-DZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_1.8e-04
5
1 0 0 1 1
0.5282943733 1.0000000000
2 0 0 1 1
2.8184144556 1.0000000000
3 0 0 1 1
22.4734319396 1.0000000000
4 1 1 1 1
1.5711890881 1.0000000000
5 2 2 1 1
0.8890133475 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 4.5e-05
He RI_aug-DZVP-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_4.5e-05
6
1 0 0 1 1
0.6195053070 1.0000000000
2 0 0 1 1
1.7594147045 1.0000000000
3 0 0 1 1
12.2639524681 1.0000000000
4 1 1 1 1
0.8901940527 1.0000000000
5 1 1 1 1
2.5082462491 1.0000000000
6 2 2 1 1
0.9644685161 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 9.7e-06
He RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_9.7e-06
8
1 0 0 1 1
0.2638845757 1.0000000000
2 0 0 1 1
0.5413964588 1.0000000000
3 0 0 1 1
3.3104898593 1.0000000000
4 0 0 1 1
21.3700049021 1.0000000000
5 1 1 1 1
0.4792470960 1.0000000000
6 1 1 1 1
1.4306470355 1.0000000000
7 1 1 1 1
6.1955237895 1.0000000000
8 2 2 1 1
0.8998154095 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.3e-06
He RI_aug-DZVP-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_1.3e-06
10
1 0 0 1 1
0.4365368485 1.0000000000
2 0 0 1 1
0.9183589121 1.0000000000
3 0 0 1 1
2.7589628897 1.0000000000
4 0 0 1 1
8.2365058627 1.0000000000
5 0 0 1 1
25.0808309776 1.0000000000
6 1 1 1 1
0.3914492770 1.0000000000
7 1 1 1 1
1.4970236906 1.0000000000
8 1 1 1 1
10.6487657292 1.0000000000
9 2 2 1 1
0.6531873035 1.0000000000
10 2 2 1 1
2.9127472641 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 2.2e-07
He RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_6_5_2_0_0_0_0_error_2.2e-07
13
1 0 0 1 1
0.3916064848 1.0000000000
2 0 0 1 1
0.7983076335 1.0000000000
3 0 0 1 1
1.9161374414 1.0000000000
4 0 0 1 1
5.1148113183 1.0000000000
5 0 0 1 1
15.4457405077 1.0000000000
6 0 0 1 1
69.2530691074 1.0000000000
7 1 1 1 1
0.4225747359 1.0000000000
8 1 1 1 1
1.1801707253 1.0000000000
9 1 1 1 1
3.0262184761 1.0000000000
10 1 1 1 1
7.3548905738 1.0000000000
11 1 1 1 1
21.6252263653 1.0000000000
12 2 2 1 1
0.6824457002 1.0000000000
13 2 2 1 1
2.6660108059 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 5.9e-08
He RI_aug-DZVP-MOLOPT-ae_N_RI_036_s_p_d_f_g_h_i_6_5_3_0_0_0_0_error_5.9e-08
14
1 0 0 1 1
0.3897135965 1.0000000000
2 0 0 1 1
0.7778372153 1.0000000000
3 0 0 1 1
1.8828863133 1.0000000000
4 0 0 1 1
5.1492641924 1.0000000000
5 0 0 1 1
15.4159046642 1.0000000000
6 0 0 1 1
68.7694127854 1.0000000000
7 1 1 1 1
0.4275319008 1.0000000000
8 1 1 1 1
1.1759845528 1.0000000000
9 1 1 1 1
3.0069168037 1.0000000000
10 1 1 1 1
7.3081681638 1.0000000000
11 1 1 1 1
21.3050249152 1.0000000000
12 2 2 1 1
0.5049976236 1.0000000000
13 2 2 1 1
1.5193023142 1.0000000000
14 2 2 1 1
3.5925551628 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 3.7e-02
He RI_aug-TZVP-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_3.7e-02
5
1 0 0 1 1
0.4580211668 1.0000000000
2 0 0 1 1
1.6811714090 1.0000000000
3 0 0 1 1
13.0932111484 1.0000000000
4 1 1 1 1
2.4213666598 1.0000000000
5 2 2 1 1
2.8667761206 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.7e-03
He RI_aug-TZVP-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.7e-03
6
1 0 0 1 1
0.4643512619 1.0000000000
2 0 0 1 1
1.7719289689 1.0000000000
3 0 0 1 1
12.7109646723 1.0000000000
4 1 1 1 1
1.0729188442 1.0000000000
5 1 1 1 1
3.7462593856 1.0000000000
6 2 2 1 1
2.8517757422 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 4.3e-04
He RI_aug-TZVP-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_3_2_1_1_0_0_0_error_4.3e-04
7
1 0 0 1 1
0.4472018813 1.0000000000
2 0 0 1 1
1.9938195056 1.0000000000
3 0 0 1 1
15.3573344407 1.0000000000
4 1 1 1 1
1.0669120878 1.0000000000
5 1 1 1 1
3.7064460128 1.0000000000
6 2 2 1 1
2.8788531349 1.0000000000
7 3 3 1 1
1.1880376992 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 3.9e-05
He RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_3.9e-05
9
1 0 0 1 1
0.4872773998 1.0000000000
2 0 0 1 1
1.2585594729 1.0000000000
3 0 0 1 1
4.8845478311 1.0000000000
4 0 0 1 1
21.1818885779 1.0000000000
5 1 1 1 1
0.4414845041 1.0000000000
6 1 1 1 1
1.2626597190 1.0000000000
7 1 1 1 1
4.0152980628 1.0000000000
8 2 2 1 1
2.8684021807 1.0000000000
9 3 3 1 1
0.8764308672 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 3.9e-06
He RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_3.9e-06
10
1 0 0 1 1
0.4836629894 1.0000000000
2 0 0 1 1
0.9303353671 1.0000000000
3 0 0 1 1
2.5301957601 1.0000000000
4 0 0 1 1
17.5846943901 1.0000000000
5 1 1 1 1
0.4944364031 1.0000000000
6 1 1 1 1
1.1188370757 1.0000000000
7 1 1 1 1
4.0527542391 1.0000000000
8 2 2 1 1
1.3294446263 1.0000000000
9 2 2 1 1
3.6676568402 1.0000000000
10 3 3 1 1
0.9253742267 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 8.1e-07
He RI_aug-TZVP-MOLOPT-ae_N_RI_038_s_p_d_f_g_h_i_5_3_2_2_0_0_0_error_8.1e-07
12
1 0 0 1 1
0.4189913763 1.0000000000
2 0 0 1 1
0.9059352217 1.0000000000
3 0 0 1 1
2.5115961909 1.0000000000
4 0 0 1 1
8.0063470036 1.0000000000
5 0 0 1 1
23.9720187989 1.0000000000
6 1 1 1 1
0.3956710565 1.0000000000
7 1 1 1 1
1.1755188147 1.0000000000
8 1 1 1 1
4.0218764859 1.0000000000
9 2 2 1 1
1.3294769183 1.0000000000
10 2 2 1 1
3.6681727074 1.0000000000
11 3 3 1 1
0.6094842030 1.0000000000
12 3 3 1 1
1.9854582875 1.0000000000
# RI basis set for He (all-electron) relative DI metric: 1.7e-07
He RI_aug-TZVP-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_4_2_2_0_0_0_error_1.7e-07
14
1 0 0 1 1
0.2924788290 1.0000000000
2 0 0 1 1
0.6876110148 1.0000000000
3 0 0 1 1
1.6523223972 1.0000000000
4 0 0 1 1
5.0465646470 1.0000000000
5 0 0 1 1
15.5242006611 1.0000000000
6 0 0 1 1
69.4810839591 1.0000000000
7 1 1 1 1
0.3811631732 1.0000000000
8 1 1 1 1
0.9449083361 1.0000000000
9 1 1 1 1
1.9428203927 1.0000000000
10 1 1 1 1
4.6179679381 1.0000000000
11 2 2 1 1
1.2924316314 1.0000000000
12 2 2 1 1
3.6667957210 1.0000000000
13 3 3 1 1
0.5468297685 1.0000000000
14 3 3 1 1
1.4760179520 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 4.7e-04
Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_4.7e-04
5
1 0 0 1 1
0.3496297613 1.0000000000
2 0 0 1 1
2.3116122905 1.0000000000
3 0 0 1 1
15.3170386416 1.0000000000
4 1 1 1 1
0.1457880413 1.0000000000
5 1 1 1 1
1.4263325185 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 9.8e-05
Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_012_s_p_d_f_g_h_i_6_2_0_0_0_0_0_error_9.8e-05
8
1 0 0 1 1
0.1266926627 1.0000000000
2 0 0 1 1
0.3848526156 1.0000000000
3 0 0 1 1
0.9557526311 1.0000000000
4 0 0 1 1
2.5299606082 1.0000000000
5 0 0 1 1
8.5663489658 1.0000000000
6 0 0 1 1
27.1841685368 1.0000000000
7 1 1 1 1
0.1587638527 1.0000000000
8 1 1 1 1
1.4399827773 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 9.2e-07
Li RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_6_3_0_0_0_0_0_error_9.2e-07
9
1 0 0 1 1
0.1245879747 1.0000000000
2 0 0 1 1
0.3786907139 1.0000000000
3 0 0 1 1
0.9664745050 1.0000000000
4 0 0 1 1
2.6282373054 1.0000000000
5 0 0 1 1
8.7516610522 1.0000000000
6 0 0 1 1
27.0343284342 1.0000000000
7 1 1 1 1
0.1175657934 1.0000000000
8 1 1 1 1
0.9935990820 1.0000000000
9 1 1 1 1
4.0128832489 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 4.8e-02
Li RI_aug-SZV-MOLOPT-ae_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_4.8e-02
3
1 0 0 1 1
6.2084121040 1.0000000000
2 0 0 1 1
22.4170259204 1.0000000000
3 1 1 1 1
1.3737602394 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 1.0e-02
Li RI_aug-SZV-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.0e-02
4
1 0 0 1 1
0.5918107477 1.0000000000
2 0 0 1 1
5.8214114237 1.0000000000
3 0 0 1 1
23.4647171688 1.0000000000
4 1 1 1 1
1.3997738808 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 3.8e-03
Li RI_aug-SZV-MOLOPT-ae_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_3.8e-03
5
1 0 0 1 1
0.5505135941 1.0000000000
2 0 0 1 1
7.9839775055 1.0000000000
3 0 0 1 1
23.4943215127 1.0000000000
4 1 1 1 1
1.3745763138 1.0000000000
5 2 2 1 1
0.7672789281 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 1.1e-04
Li RI_aug-SZV-MOLOPT-ae_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.1e-04
6
1 0 0 1 1
0.5137523807 1.0000000000
2 0 0 1 1
8.3363890613 1.0000000000
3 0 0 1 1
18.2925532795 1.0000000000
4 1 1 1 1
0.3242299383 1.0000000000
5 1 1 1 1
1.6429407750 1.0000000000
6 2 2 1 1
0.7673096620 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 2.2e-05
Li RI_aug-SZV-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.2e-05
8
1 0 0 1 1
0.2536890794 1.0000000000
2 0 0 1 1
0.7427866114 1.0000000000
3 0 0 1 1
6.1836155034 1.0000000000
4 0 0 1 1
31.3087310167 1.0000000000
5 1 1 1 1
0.2574008809 1.0000000000
6 1 1 1 1
1.0838890909 1.0000000000
7 1 1 1 1
4.4515528124 1.0000000000
8 2 2 1 1
0.7686702585 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 3.5e-06
Li RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_3.5e-06
9
1 0 0 1 1
0.2660733242 1.0000000000
2 0 0 1 1
0.7440750558 1.0000000000
3 0 0 1 1
6.1921754131 1.0000000000
4 0 0 1 1
31.7801278422 1.0000000000
5 1 1 1 1
0.2473099670 1.0000000000
6 1 1 1 1
1.0016277195 1.0000000000
7 1 1 1 1
3.8463034719 1.0000000000
8 2 2 1 1
0.4581833795 1.0000000000
9 2 2 1 1
2.5158456830 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 8.0e-07
Li RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_8.0e-07
10
1 0 0 1 1
0.3245560788 1.0000000000
2 0 0 1 1
1.1372932793 1.0000000000
3 0 0 1 1
5.4284432155 1.0000000000
4 0 0 1 1
30.5874725057 1.0000000000
5 1 1 1 1
0.2529770330 1.0000000000
6 1 1 1 1
1.0620002655 1.0000000000
7 1 1 1 1
4.3266577118 1.0000000000
8 2 2 1 1
0.1092880641 1.0000000000
9 2 2 1 1
0.4801563819 1.0000000000
10 2 2 1 1
2.3378216974 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 3.9e-07
Li RI_aug-SZV-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_5_4_4_2_2_2_1_error_3.9e-07
20
1 0 0 1 1
0.2370942763 1.0000000000
2 0 0 1 1
0.9205269073 1.0000000000
3 0 0 1 1
2.6339689852 1.0000000000
4 0 0 1 1
8.4191419856 1.0000000000
5 0 0 1 1
37.6123928513 1.0000000000
6 1 1 1 1
0.1306881328 1.0000000000
7 1 1 1 1
0.3415343691 1.0000000000
8 1 1 1 1
1.3350258999 1.0000000000
9 1 1 1 1
6.4906102699 1.0000000000
10 2 2 1 1
0.1007081297 1.0000000000
11 2 2 1 1
0.2874290819 1.0000000000
12 2 2 1 1
0.8160639196 1.0000000000
13 2 2 1 1
2.3286914870 1.0000000000
14 3 3 1 1
0.1670531148 1.0000000000
15 3 3 1 1
1.0729094546 1.0000000000
16 4 4 1 1
0.1112100753 1.0000000000
17 4 4 1 1
0.4536139815 1.0000000000
18 5 5 1 1
0.3952389732 1.0000000000
19 5 5 1 1
0.4272495728 1.0000000000
20 6 6 1 1
0.7349241171 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 1.1e-02
Li RI_aug-DZVP-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.1e-02
4
1 0 0 1 1
2.4916607417 1.0000000000
2 0 0 1 1
9.3921918903 1.0000000000
3 0 0 1 1
31.3463671159 1.0000000000
4 1 1 1 1
1.7928072978 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 3.5e-03
Li RI_aug-DZVP-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.5e-03
5
1 0 0 1 1
1.4390401105 1.0000000000
2 0 0 1 1
12.0535427197 1.0000000000
3 0 0 1 1
50.8623685541 1.0000000000
4 1 1 1 1
0.7706698602 1.0000000000
5 1 1 1 1
2.7844011814 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 1.2e-03
Li RI_aug-DZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.2e-03
6
1 0 0 1 1
0.3684678753 1.0000000000
2 0 0 1 1
2.4959284032 1.0000000000
3 0 0 1 1
11.3425295715 1.0000000000
4 0 0 1 1
37.2086870325 1.0000000000
5 1 1 1 1
0.7146750996 1.0000000000
6 1 1 1 1
2.6158194473 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 2.7e-04
Li RI_aug-DZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_2.7e-04
7
1 0 0 1 1
0.3084103587 1.0000000000
2 0 0 1 1
2.2523286129 1.0000000000
3 0 0 1 1
13.4336085244 1.0000000000
4 0 0 1 1
53.2740420415 1.0000000000
5 1 1 1 1
0.8863937322 1.0000000000
6 1 1 1 1
3.0735731667 1.0000000000
7 2 2 1 1
0.7742805827 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 1.1e-05
Li RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_1.1e-05
8
1 0 0 1 1
0.6182489890 1.0000000000
2 0 0 1 1
3.0921771346 1.0000000000
3 0 0 1 1
11.7413733387 1.0000000000
4 0 0 1 1
31.8419081199 1.0000000000
5 1 1 1 1
0.4913032870 1.0000000000
6 1 1 1 1
0.8580572738 1.0000000000
7 1 1 1 1
3.1346871993 1.0000000000
8 2 2 1 1
0.9071235587 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 4.6e-06
Li RI_aug-DZVP-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_5_4_1_0_0_0_0_error_4.6e-06
10
1 0 0 1 1
0.1004011863 1.0000000000
2 0 0 1 1
0.6182046384 1.0000000000
3 0 0 1 1
3.1641938056 1.0000000000
4 0 0 1 1
11.4580289039 1.0000000000
5 0 0 1 1
32.3111193567 1.0000000000
6 1 1 1 1
0.1034701188 1.0000000000
7 1 1 1 1
0.4363539797 1.0000000000
8 1 1 1 1
1.3001591911 1.0000000000
9 1 1 1 1
4.4487690422 1.0000000000
10 2 2 1 1
0.9121088287 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 1.0e-06
Li RI_aug-DZVP-MOLOPT-ae_N_RI_080_s_p_d_f_g_h_i_5_4_3_3_3_0_0_error_1.0e-06
18
1 0 0 1 1
0.1621932177 1.0000000000
2 0 0 1 1
0.6559690291 1.0000000000
3 0 0 1 1
2.8945204305 1.0000000000
4 0 0 1 1
11.0162110986 1.0000000000
5 0 0 1 1
33.1927957253 1.0000000000
6 1 1 1 1
0.1812113386 1.0000000000
7 1 1 1 1
0.5691845889 1.0000000000
8 1 1 1 1
1.4299923686 1.0000000000
9 1 1 1 1
4.7437927480 1.0000000000
10 2 2 1 1
0.1572603012 1.0000000000
11 2 2 1 1
0.4926538517 1.0000000000
12 2 2 1 1
2.2582517084 1.0000000000
13 3 3 1 1
0.1146274170 1.0000000000
14 3 3 1 1
0.3780434270 1.0000000000
15 3 3 1 1
0.9673984334 1.0000000000
16 4 4 1 1
0.1625425774 1.0000000000
17 4 4 1 1
0.3465576506 1.0000000000
18 4 4 1 1
0.6179790344 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 1.5e-02
Li RI_aug-TZVP-MOLOPT-ae_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_1.5e-02
4
1 0 0 1 1
1.2418833637 1.0000000000
2 0 0 1 1
4.3156365677 1.0000000000
3 0 0 1 1
15.1652330873 1.0000000000
4 1 1 1 1
3.9377584450 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 1.8e-03
Li RI_aug-TZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.8e-03
6
1 0 0 1 1
0.5479199871 1.0000000000
2 0 0 1 1
1.7531264214 1.0000000000
3 0 0 1 1
4.0967941017 1.0000000000
4 0 0 1 1
16.3127939881 1.0000000000
5 1 1 1 1
1.1101786392 1.0000000000
6 1 1 1 1
4.5563339803 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 9.9e-05
Li RI_aug-TZVP-MOLOPT-ae_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_9.9e-05
7
1 0 0 1 1
0.4235919563 1.0000000000
2 0 0 1 1
1.4926835069 1.0000000000
3 0 0 1 1
5.2600218427 1.0000000000
4 0 0 1 1
18.5356440205 1.0000000000
5 1 1 1 1
1.0956527484 1.0000000000
6 1 1 1 1
4.6029400974 1.0000000000
7 2 2 1 1
0.9143737140 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 2.0e-05
Li RI_aug-TZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.0e-05
8
1 0 0 1 1
0.5173015905 1.0000000000
2 0 0 1 1
1.6827082266 1.0000000000
3 0 0 1 1
4.3378108034 1.0000000000
4 0 0 1 1
16.4696466889 1.0000000000
5 1 1 1 1
0.4179946941 1.0000000000
6 1 1 1 1
1.3153495542 1.0000000000
7 1 1 1 1
4.4216545744 1.0000000000
8 2 2 1 1
0.9125372407 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 9.2e-06
Li RI_aug-TZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_9.2e-06
10
1 0 0 1 1
0.1437569362 1.0000000000
2 0 0 1 1
0.4550956506 1.0000000000
3 0 0 1 1
1.5408238918 1.0000000000
4 0 0 1 1
3.6081169910 1.0000000000
5 0 0 1 1
7.5386485970 1.0000000000
6 0 0 1 1
29.6707035855 1.0000000000
7 1 1 1 1
0.4857784130 1.0000000000
8 1 1 1 1
1.4003979068 1.0000000000
9 1 1 1 1
4.2695109787 1.0000000000
10 2 2 1 1
0.9338389900 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 4.5e-06
Li RI_aug-TZVP-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_7_5_1_0_0_0_0_error_4.5e-06
13
1 0 0 1 1
0.0939884541 1.0000000000
2 0 0 1 1
0.2018873357 1.0000000000
3 0 0 1 1
0.6208393015 1.0000000000
4 0 0 1 1
1.8400036469 1.0000000000
5 0 0 1 1
3.5716956538 1.0000000000
6 0 0 1 1
9.7900971608 1.0000000000
7 0 0 1 1
43.8134113976 1.0000000000
8 1 1 1 1
0.1282589900 1.0000000000
9 1 1 1 1
0.3270046536 1.0000000000
10 1 1 1 1
0.7810135491 1.0000000000
11 1 1 1 1
1.9758292575 1.0000000000
12 1 1 1 1
4.5275082551 1.0000000000
13 2 2 1 1
0.9131331057 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 6.6e-07
Li RI_aug-TZVP-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_7_5_2_0_0_0_0_error_6.6e-07
14
1 0 0 1 1
0.0974841892 1.0000000000
2 0 0 1 1
0.2041084070 1.0000000000
3 0 0 1 1
0.6251476931 1.0000000000
4 0 0 1 1
1.8887974908 1.0000000000
5 0 0 1 1
3.4717874960 1.0000000000
6 0 0 1 1
9.7098594162 1.0000000000
7 0 0 1 1
43.2612865518 1.0000000000
8 1 1 1 1
0.1273369045 1.0000000000
9 1 1 1 1
0.3244017243 1.0000000000
10 1 1 1 1
0.7831570468 1.0000000000
11 1 1 1 1
1.9723558204 1.0000000000
12 1 1 1 1
4.5271833522 1.0000000000
13 2 2 1 1
0.6800528315 1.0000000000
14 2 2 1 1
1.3997999782 1.0000000000
# RI basis set for Li (all-electron) relative DI metric: 3.2e-07
Li RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_3.2e-07
18
1 0 0 1 1
0.0981591594 1.0000000000
2 0 0 1 1
0.2048827613 1.0000000000
3 0 0 1 1
0.6270122905 1.0000000000
4 0 0 1 1
1.8443128321 1.0000000000
5 0 0 1 1
3.4690352943 1.0000000000
6 0 0 1 1
9.7063404448 1.0000000000
7 0 0 1 1
43.9353123774 1.0000000000
8 1 1 1 1
0.1236639637 1.0000000000
9 1 1 1 1
0.3224179706 1.0000000000
10 1 1 1 1
0.7728976675 1.0000000000
11 1 1 1 1
1.9552599060 1.0000000000
12 1 1 1 1
4.5461526000 1.0000000000
13 2 2 1 1
0.1131038401 1.0000000000
14 2 2 1 1
0.2895785960 1.0000000000
15 2 2 1 1
0.8355139674 1.0000000000
16 2 2 1 1
2.2882230273 1.0000000000
17 3 3 1 1
0.1336070947 1.0000000000
18 3 3 1 1
1.0835696307 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 1.3e-02
Be RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_1.3e-02
5
1 0 0 1 1
0.7764010800 1.0000000000
2 0 0 1 1
7.1505325961 1.0000000000
3 0 0 1 1
72.3147648020 1.0000000000
4 1 1 1 1
0.2770890543 1.0000000000
5 1 1 1 1
0.4903269990 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 5.2e-06
Be RI_aug-SZV-MOLOPT-ae-mini_N_RI_016_s_p_d_f_g_h_i_7_3_0_0_0_0_0_error_5.2e-06
10
1 0 0 1 1
0.1096822461 1.0000000000
2 0 0 1 1
0.3146507837 1.0000000000
3 0 0 1 1
0.9849871068 1.0000000000
4 0 0 1 1
2.7089836765 1.0000000000
5 0 0 1 1
7.1980201003 1.0000000000
6 0 0 1 1
19.0078189412 1.0000000000
7 0 0 1 1
50.2591771488 1.0000000000
8 1 1 1 1
0.1552253143 1.0000000000
9 1 1 1 1
0.4826696273 1.0000000000
10 1 1 1 1
3.3446943618 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 4.2e-02
Be RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_4.2e-02
4
1 0 0 1 1
1.0969320829 1.0000000000
2 0 0 1 1
12.7765171623 1.0000000000
3 1 1 1 1
0.2887799304 1.0000000000
4 2 2 1 1
0.3346038588 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 1.2e-02
Be RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_5_1_1_1_0_0_0_error_1.2e-02
8
1 0 0 1 1
0.1162739708 1.0000000000
2 0 0 1 1
0.3336047865 1.0000000000
3 0 0 1 1
1.9546901430 1.0000000000
4 0 0 1 1
10.2644204478 1.0000000000
5 0 0 1 1
52.0670897630 1.0000000000
6 1 1 1 1
0.3676728182 1.0000000000
7 2 2 1 1
0.3343569831 1.0000000000
8 3 3 1 1
0.1442126443 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 5.5e-03
Be RI_aug-SZV-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_6_2_1_1_0_0_0_error_5.5e-03
10
1 0 0 1 1
0.1163150776 1.0000000000
2 0 0 1 1
0.3285248018 1.0000000000
3 0 0 1 1
1.1502904587 1.0000000000
4 0 0 1 1
4.0868099234 1.0000000000
5 0 0 1 1
14.5468289874 1.0000000000
6 0 0 1 1
51.8324499125 1.0000000000
7 1 1 1 1
0.2315435272 1.0000000000
8 1 1 1 1
1.1145091776 1.0000000000
9 2 2 1 1
0.2902896713 1.0000000000
10 3 3 1 1
1.3313985884 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 4.1e-06
Be RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_4.1e-06
11
1 0 0 1 1
0.1203001266 1.0000000000
2 0 0 1 1
0.3303015784 1.0000000000
3 0 0 1 1
1.1525134696 1.0000000000
4 0 0 1 1
4.0848918101 1.0000000000
5 0 0 1 1
14.5072486120 1.0000000000
6 0 0 1 1
51.8762391715 1.0000000000
7 1 1 1 1
0.1379226490 1.0000000000
8 1 1 1 1
0.4441245927 1.0000000000
9 1 1 1 1
3.8255393417 1.0000000000
10 2 2 1 1
0.3343636816 1.0000000000
11 3 3 1 1
0.5216014710 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 4.8e-07
Be RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.8e-07
13
1 0 0 1 1
0.1188267923 1.0000000000
2 0 0 1 1
0.3320087332 1.0000000000
3 0 0 1 1
1.1614903191 1.0000000000
4 0 0 1 1
4.0777271577 1.0000000000
5 0 0 1 1
14.2911118322 1.0000000000
6 0 0 1 1
52.1325431967 1.0000000000
7 1 1 1 1
0.1364956209 1.0000000000
8 1 1 1 1
0.4147703536 1.0000000000
9 1 1 1 1
2.4052799662 1.0000000000
10 1 1 1 1
6.6324776370 1.0000000000
11 2 2 1 1
0.3476984882 1.0000000000
12 2 2 1 1
2.0306278019 1.0000000000
13 3 3 1 1
0.4962152098 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 2.2e-07
Be RI_aug-SZV-MOLOPT-ae_N_RI_038_s_p_d_f_g_h_i_6_5_2_1_0_0_0_error_2.2e-07
14
1 0 0 1 1
0.1241785093 1.0000000000
2 0 0 1 1
0.3375851649 1.0000000000
3 0 0 1 1
1.1718281073 1.0000000000
4 0 0 1 1
4.0598250771 1.0000000000
5 0 0 1 1
14.1100658911 1.0000000000
6 0 0 1 1
52.3133931096 1.0000000000
7 1 1 1 1
0.1272141107 1.0000000000
8 1 1 1 1
0.2988603582 1.0000000000
9 1 1 1 1
0.7379864384 1.0000000000
10 1 1 1 1
2.7921786623 1.0000000000
11 1 1 1 1
9.8199888918 1.0000000000
12 2 2 1 1
0.3502253661 1.0000000000
13 2 2 1 1
1.9331712918 1.0000000000
14 3 3 1 1
0.4980086817 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 6.2e-08
Be RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_5_4_1_0_0_0_error_6.2e-08
16
1 0 0 1 1
0.1225660465 1.0000000000
2 0 0 1 1
0.3295049378 1.0000000000
3 0 0 1 1
1.1503567196 1.0000000000
4 0 0 1 1
4.0841110637 1.0000000000
5 0 0 1 1
14.5274163477 1.0000000000
6 0 0 1 1
51.8511881076 1.0000000000
7 1 1 1 1
0.1386836024 1.0000000000
8 1 1 1 1
0.3817246510 1.0000000000
9 1 1 1 1
1.2396943852 1.0000000000
10 1 1 1 1
3.4766497167 1.0000000000
11 1 1 1 1
9.7144319908 1.0000000000
12 2 2 1 1
0.1399463761 1.0000000000
13 2 2 1 1
0.3511424504 1.0000000000
14 2 2 1 1
1.1196655217 1.0000000000
15 2 2 1 1
3.2549751676 1.0000000000
16 3 3 1 1
0.4982903298 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 2.9e-08
Be RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_5_5_1_1_0_0_error_2.9e-08
19
1 0 0 1 1
0.1197814148 1.0000000000
2 0 0 1 1
0.2669704181 1.0000000000
3 0 0 1 1
0.7463987749 1.0000000000
4 0 0 1 1
2.1578519457 1.0000000000
5 0 0 1 1
6.2404460089 1.0000000000
6 0 0 1 1
17.9965325035 1.0000000000
7 0 0 1 1
51.8140965260 1.0000000000
8 1 1 1 1
0.1294098831 1.0000000000
9 1 1 1 1
0.3661819458 1.0000000000
10 1 1 1 1
1.2482207007 1.0000000000
11 1 1 1 1
3.4892287599 1.0000000000
12 1 1 1 1
9.6985294681 1.0000000000
13 2 2 1 1
0.1369009410 1.0000000000
14 2 2 1 1
0.3024852287 1.0000000000
15 2 2 1 1
0.6680227180 1.0000000000
16 2 2 1 1
1.4753766262 1.0000000000
17 2 2 1 1
3.2586449593 1.0000000000
18 3 3 1 1
0.4991852113 1.0000000000
19 4 4 1 1
0.5156063055 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 7.3e-09
Be RI_aug-SZV-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_7.3e-09
27
1 0 0 1 1
0.1225575334 1.0000000000
2 0 0 1 1
0.2659044433 1.0000000000
3 0 0 1 1
0.7438608774 1.0000000000
4 0 0 1 1
2.1535602804 1.0000000000
5 0 0 1 1
6.2371673986 1.0000000000
6 0 0 1 1
17.9986800169 1.0000000000
7 0 0 1 1
51.8090911778 1.0000000000
8 1 1 1 1
0.1095529187 1.0000000000
9 1 1 1 1
0.1951024723 1.0000000000
10 1 1 1 1
0.5149136540 1.0000000000
11 1 1 1 1
1.4116400215 1.0000000000
12 1 1 1 1
3.7137780979 1.0000000000
13 1 1 1 1
9.7326451726 1.0000000000
14 2 2 1 1
0.1369498480 1.0000000000
15 2 2 1 1
0.2581458049 1.0000000000
16 2 2 1 1
0.4865941315 1.0000000000
17 2 2 1 1
0.9171878545 1.0000000000
18 2 2 1 1
1.7288251943 1.0000000000
19 2 2 1 1
3.2587000000 1.0000000000
20 3 3 1 1
0.2055270886 1.0000000000
21 3 3 1 1
0.3295494446 1.0000000000
22 3 3 1 1
0.5289064732 1.0000000000
23 3 3 1 1
0.8490444610 1.0000000000
24 3 3 1 1
1.3631103378 1.0000000000
25 4 4 1 1
0.3810209324 1.0000000000
26 4 4 1 1
0.5468838517 1.0000000000
27 4 4 1 1
0.7857014957 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 2.6e-03
Be RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.6e-03
9
1 0 0 1 1
0.1198707147 1.0000000000
2 0 0 1 1
0.3254757997 1.0000000000
3 0 0 1 1
1.1457928926 1.0000000000
4 0 0 1 1
5.7015562658 1.0000000000
5 0 0 1 1
23.9486351711 1.0000000000
6 1 1 1 1
0.2231118190 1.0000000000
7 1 1 1 1
0.5523255671 1.0000000000
8 1 1 1 1
6.6972274731 1.0000000000
9 2 2 1 1
0.3886492407 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 5.7e-04
Be RI_aug-DZVP-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_7_3_2_0_0_0_0_error_5.7e-04
12
1 0 0 1 1
0.1091644292 1.0000000000
2 0 0 1 1
0.2631433042 1.0000000000
3 0 0 1 1
0.7403394424 1.0000000000
4 0 0 1 1
2.1404593934 1.0000000000
5 0 0 1 1
6.2021703199 1.0000000000
6 0 0 1 1
17.9181310146 1.0000000000
7 0 0 1 1
51.8416536139 1.0000000000
8 1 1 1 1
0.1930994601 1.0000000000
9 1 1 1 1
0.4881078158 1.0000000000
10 1 1 1 1
7.5994984116 1.0000000000
11 2 2 1 1
0.1918665211 1.0000000000
12 2 2 1 1
0.7771889181 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 1.3e-04
Be RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_7_4_2_0_0_0_0_error_1.3e-04
13
1 0 0 1 1
0.1326320521 1.0000000000
2 0 0 1 1
0.2361394797 1.0000000000
3 0 0 1 1
0.6206749778 1.0000000000
4 0 0 1 1
1.8822829757 1.0000000000
5 0 0 1 1
5.7330340727 1.0000000000
6 0 0 1 1
16.9622307974 1.0000000000
7 0 0 1 1
52.3606261638 1.0000000000
8 1 1 1 1
0.1858441860 1.0000000000
9 1 1 1 1
0.3874522392 1.0000000000
10 1 1 1 1
1.2535607486 1.0000000000
11 1 1 1 1
6.6628211122 1.0000000000
12 2 2 1 1
0.1462626809 1.0000000000
13 2 2 1 1
0.4744052978 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 5.7e-05
Be RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_7_5_2_1_0_0_0_error_5.7e-05
15
1 0 0 1 1
0.1014525092 1.0000000000
2 0 0 1 1
0.2370988269 1.0000000000
3 0 0 1 1
0.6786159070 1.0000000000
4 0 0 1 1
2.1856352842 1.0000000000
5 0 0 1 1
6.5717724827 1.0000000000
6 0 0 1 1
18.6856135032 1.0000000000
7 0 0 1 1
53.7675277281 1.0000000000
8 1 1 1 1
0.1308632403 1.0000000000
9 1 1 1 1
0.2417037867 1.0000000000
10 1 1 1 1
0.7034589586 1.0000000000
11 1 1 1 1
2.1950437215 1.0000000000
12 1 1 1 1
7.4680114409 1.0000000000
13 2 2 1 1
0.1399642511 1.0000000000
14 2 2 1 1
0.4440961539 1.0000000000
15 3 3 1 1
0.3562115345 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 2.1e-05
Be RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_5_5_4_0_0_0_error_2.1e-05
21
1 0 0 1 1
0.1060202334 1.0000000000
2 0 0 1 1
0.2768363781 1.0000000000
3 0 0 1 1
0.8480252293 1.0000000000
4 0 0 1 1
2.6348430545 1.0000000000
5 0 0 1 1
7.5426145341 1.0000000000
6 0 0 1 1
20.8007199984 1.0000000000
7 0 0 1 1
57.1643594382 1.0000000000
8 1 1 1 1
0.1021916652 1.0000000000
9 1 1 1 1
0.2537391170 1.0000000000
10 1 1 1 1
0.6800787343 1.0000000000
11 1 1 1 1
2.4616499447 1.0000000000
12 1 1 1 1
7.5195956449 1.0000000000
13 2 2 1 1
0.1317062989 1.0000000000
14 2 2 1 1
0.3023965844 1.0000000000
15 2 2 1 1
0.6681022770 1.0000000000
16 2 2 1 1
1.4751826616 1.0000000000
17 2 2 1 1
3.2616090078 1.0000000000
18 3 3 1 1
0.1300362526 1.0000000000
19 3 3 1 1
0.3428480667 1.0000000000
20 3 3 1 1
0.6709593480 1.0000000000
21 3 3 1 1
1.2898409224 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 2.1e-02
Be RI_aug-TZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.1e-02
9
1 0 0 1 1
0.1870555794 1.0000000000
2 0 0 1 1
0.2932248365 1.0000000000
3 0 0 1 1
2.7941764838 1.0000000000
4 0 0 1 1
14.2014704718 1.0000000000
5 0 0 1 1
36.0370522688 1.0000000000
6 1 1 1 1
0.2151540236 1.0000000000
7 1 1 1 1
0.5959733511 1.0000000000
8 1 1 1 1
11.4985054482 1.0000000000
9 2 2 1 1
0.3705402825 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 5.7e-03
Be RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_5.7e-03
11
1 0 0 1 1
0.1774342505 1.0000000000
2 0 0 1 1
0.3111843177 1.0000000000
3 0 0 1 1
2.5577684354 1.0000000000
4 0 0 1 1
13.5055251484 1.0000000000
5 0 0 1 1
40.5085389935 1.0000000000
6 1 1 1 1
0.2198595722 1.0000000000
7 1 1 1 1
0.5326574240 1.0000000000
8 1 1 1 1
3.0339484500 1.0000000000
9 1 1 1 1
12.2140323684 1.0000000000
10 2 2 1 1
0.3705155199 1.0000000000
11 3 3 1 1
0.3272528852 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 2.3e-03
Be RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_2.3e-03
12
1 0 0 1 1
0.1474559457 1.0000000000
2 0 0 1 1
0.4218923632 1.0000000000
3 0 0 1 1
2.6215398637 1.0000000000
4 0 0 1 1
12.5267691122 1.0000000000
5 0 0 1 1
38.7373161979 1.0000000000
6 1 1 1 1
0.2243626406 1.0000000000
7 1 1 1 1
0.5261490554 1.0000000000
8 1 1 1 1
2.7911114549 1.0000000000
9 1 1 1 1
12.2923551765 1.0000000000
10 2 2 1 1
0.2765289841 1.0000000000
11 2 2 1 1
0.6806371634 1.0000000000
12 3 3 1 1
0.3471314856 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 9.3e-04
Be RI_aug-TZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_9.3e-04
15
1 0 0 1 1
0.1251653393 1.0000000000
2 0 0 1 1
0.2477193025 1.0000000000
3 0 0 1 1
0.6185492738 1.0000000000
4 0 0 1 1
1.7915841586 1.0000000000
5 0 0 1 1
5.3969925817 1.0000000000
6 0 0 1 1
16.4977603871 1.0000000000
7 0 0 1 1
54.1690233305 1.0000000000
8 1 1 1 1
0.2192458032 1.0000000000
9 1 1 1 1
0.5542747049 1.0000000000
10 1 1 1 1
2.8525734383 1.0000000000
11 1 1 1 1
11.6224311224 1.0000000000
12 2 2 1 1
0.1719014034 1.0000000000
13 2 2 1 1
0.4275258226 1.0000000000
14 2 2 1 1
1.0585552117 1.0000000000
15 3 3 1 1
0.3289432139 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 4.3e-04
Be RI_aug-TZVP-MOLOPT-ae_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_4.3e-04
17
1 0 0 1 1
0.1281322053 1.0000000000
2 0 0 1 1
0.2233997882 1.0000000000
3 0 0 1 1
0.5632364748 1.0000000000
4 0 0 1 1
1.6203212704 1.0000000000
5 0 0 1 1
4.8017506176 1.0000000000
6 0 0 1 1
14.7567942064 1.0000000000
7 0 0 1 1
58.6787256784 1.0000000000
8 1 1 1 1
0.1108794740 1.0000000000
9 1 1 1 1
0.2364345855 1.0000000000
10 1 1 1 1
0.6858646432 1.0000000000
11 1 1 1 1
3.3743512426 1.0000000000
12 1 1 1 1
11.9836318840 1.0000000000
13 2 2 1 1
0.1829245769 1.0000000000
14 2 2 1 1
0.6454397254 1.0000000000
15 2 2 1 1
2.3266627020 1.0000000000
16 2 2 1 1
8.3921164943 1.0000000000
17 3 3 1 1
0.3536736931 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 1.5e-04
Be RI_aug-TZVP-MOLOPT-ae_N_RI_058_s_p_d_f_g_h_i_7_5_4_1_1_0_0_error_1.5e-04
18
1 0 0 1 1
0.1399358111 1.0000000000
2 0 0 1 1
0.2275133343 1.0000000000
3 0 0 1 1
0.5656105950 1.0000000000
4 0 0 1 1
1.6291491274 1.0000000000
5 0 0 1 1
4.8392086696 1.0000000000
6 0 0 1 1
14.9278652608 1.0000000000
7 0 0 1 1
58.9595185139 1.0000000000
8 1 1 1 1
0.1127554502 1.0000000000
9 1 1 1 1
0.2318756824 1.0000000000
10 1 1 1 1
0.6820254920 1.0000000000
11 1 1 1 1
3.3877210643 1.0000000000
12 1 1 1 1
12.0060347323 1.0000000000
13 2 2 1 1
0.2124705501 1.0000000000
14 2 2 1 1
0.3498892404 1.0000000000
15 2 2 1 1
1.5605393383 1.0000000000
16 2 2 1 1
8.8372953922 1.0000000000
17 3 3 1 1
0.3715200433 1.0000000000
18 4 4 1 1
0.1369188316 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 6.6e-05
Be RI_aug-TZVP-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_5_5_1_1_0_0_error_6.6e-05
19
1 0 0 1 1
0.1158841857 1.0000000000
2 0 0 1 1
0.2025966865 1.0000000000
3 0 0 1 1
0.5452636265 1.0000000000
4 0 0 1 1
1.5658945512 1.0000000000
5 0 0 1 1
4.5631324597 1.0000000000
6 0 0 1 1
13.6312997217 1.0000000000
7 0 0 1 1
63.0468497053 1.0000000000
8 1 1 1 1
0.1105607661 1.0000000000
9 1 1 1 1
0.2298000164 1.0000000000
10 1 1 1 1
0.6547022920 1.0000000000
11 1 1 1 1
3.6036789345 1.0000000000
12 1 1 1 1
12.0103858263 1.0000000000
13 2 2 1 1
0.1173634209 1.0000000000
14 2 2 1 1
0.3591563309 1.0000000000
15 2 2 1 1
1.0920707252 1.0000000000
16 2 2 1 1
3.3324036866 1.0000000000
17 2 2 1 1
10.1947129487 1.0000000000
18 3 3 1 1
0.3526519108 1.0000000000
19 4 4 1 1
0.1576113299 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 2.1e-05
Be RI_aug-TZVP-MOLOPT-ae_N_RI_093_s_p_d_f_g_h_i_7_5_5_4_2_0_0_error_2.1e-05
23
1 0 0 1 1
0.1168437801 1.0000000000
2 0 0 1 1
0.1981447580 1.0000000000
3 0 0 1 1
0.5458946432 1.0000000000
4 0 0 1 1
1.5657311674 1.0000000000
5 0 0 1 1
4.5571801046 1.0000000000
6 0 0 1 1
13.5091479487 1.0000000000
7 0 0 1 1
63.9251322318 1.0000000000
8 1 1 1 1
0.1230808212 1.0000000000
9 1 1 1 1
0.2087985094 1.0000000000
10 1 1 1 1
0.6515376746 1.0000000000
11 1 1 1 1
4.2055711855 1.0000000000
12 1 1 1 1
12.1483185924 1.0000000000
13 2 2 1 1
0.1346246712 1.0000000000
14 2 2 1 1
0.3959135282 1.0000000000
15 2 2 1 1
1.1802436195 1.0000000000
16 2 2 1 1
3.4705494523 1.0000000000
17 2 2 1 1
10.4634289747 1.0000000000
18 3 3 1 1
0.1380217807 1.0000000000
19 3 3 1 1
0.3533670144 1.0000000000
20 3 3 1 1
0.6975153228 1.0000000000
21 3 3 1 1
1.3508238423 1.0000000000
22 4 4 1 1
0.1738343968 1.0000000000
23 4 4 1 1
0.6724171726 1.0000000000
# RI basis set for Be (all-electron) relative DI metric: 9.1e-06
Be RI_aug-TZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_9.1e-06
26
1 0 0 1 1
0.1143529973 1.0000000000
2 0 0 1 1
0.4117242119 1.0000000000
3 0 0 1 1
0.7513436070 1.0000000000
4 0 0 1 1
1.9115115953 1.0000000000
5 0 0 1 1
4.7816706729 1.0000000000
6 0 0 1 1
12.5678861425 1.0000000000
7 0 0 1 1
71.8344621696 1.0000000000
8 1 1 1 1
0.1147719514 1.0000000000
9 1 1 1 1
0.2470098577 1.0000000000
10 1 1 1 1
0.6402742942 1.0000000000
11 1 1 1 1
1.6332128386 1.0000000000
12 1 1 1 1
4.4128305246 1.0000000000
13 1 1 1 1
12.1244242727 1.0000000000
14 2 2 1 1
0.1407702354 1.0000000000
15 2 2 1 1
0.3874456634 1.0000000000
16 2 2 1 1
1.0144554849 1.0000000000
17 2 2 1 1
3.2583356502 1.0000000000
18 2 2 1 1
10.3252064136 1.0000000000
19 3 3 1 1
0.1535205182 1.0000000000
20 3 3 1 1
0.2901096106 1.0000000000
21 3 3 1 1
0.4889628210 1.0000000000
22 3 3 1 1
0.8141034745 1.0000000000
23 3 3 1 1
1.3393348464 1.0000000000
24 4 4 1 1
0.1938105962 1.0000000000
25 4 4 1 1
0.3526269336 1.0000000000
26 4 4 1 1
0.5742579315 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 2.0e-02
B RI_aug-SZV-MOLOPT-ae_N_RI_017_s_p_d_f_g_h_i_2_1_1_1_0_0_0_error_2.0e-02
5
1 0 0 1 1
1.9536140826 1.0000000000
2 0 0 1 1
41.2931581775 1.0000000000
3 1 1 1 1
0.5966229391 1.0000000000
4 2 2 1 1
0.5394017949 1.0000000000
5 3 3 1 1
0.2266443541 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 5.8e-07
B RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_5.8e-07
5
1 0 0 1 1
0.2856215636 1.0000000000
2 0 0 1 1
0.8126732788 1.0000000000
3 0 0 1 1
3.0529684504 1.0000000000
4 1 1 1 1
0.3264938753 1.0000000000
5 1 1 1 1
0.8635069462 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 1.2e-07
B RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_5_3_0_0_0_0_0_error_1.2e-07
8
1 0 0 1 1
0.3789426331 1.0000000000
2 0 0 1 1
0.6873959454 1.0000000000
3 0 0 1 1
1.2314603527 1.0000000000
4 0 0 1 1
2.1430160263 1.0000000000
5 0 0 1 1
3.7010209697 1.0000000000
6 1 1 1 1
0.3541247654 1.0000000000
7 1 1 1 1
0.7345081003 1.0000000000
8 1 1 1 1
3.3360177769 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 1.9e-08
B RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_1.9e-08
13
1 0 0 1 1
0.4226550000 1.0000000000
2 0 0 1 1
0.6075369656 1.0000000000
3 0 0 1 1
0.8732918447 1.0000000000
4 0 0 1 1
1.2552958736 1.0000000000
5 0 0 1 1
1.8043999149 1.0000000000
6 0 0 1 1
2.5936985227 1.0000000000
7 0 0 1 1
3.7282600000 1.0000000000
8 1 1 1 1
0.4226549998 1.0000000000
9 1 1 1 1
0.6532659874 1.0000000000
10 1 1 1 1
1.0097040149 1.0000000000
11 1 1 1 1
1.5606234172 1.0000000000
12 1 1 1 1
2.4121380270 1.0000000000
13 1 1 1 1
3.7282599999 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 7.4e-06
B RI_aug-SZV-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_7.4e-06
9
1 0 0 1 1
0.2503405201 1.0000000000
2 0 0 1 1
0.7878125425 1.0000000000
3 0 0 1 1
5.9745224766 1.0000000000
4 0 0 1 1
47.4325949225 1.0000000000
5 1 1 1 1
0.2732835355 1.0000000000
6 1 1 1 1
0.7371828437 1.0000000000
7 1 1 1 1
7.2472997167 1.0000000000
8 2 2 1 1
0.4552986304 1.0000000000
9 3 3 1 1
0.6759737321 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 2.2e-06
B RI_aug-SZV-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_6_3_2_1_0_0_0_error_2.2e-06
12
1 0 0 1 1
0.2096188111 1.0000000000
2 0 0 1 1
0.6181885944 1.0000000000
3 0 0 1 1
1.8231208880 1.0000000000
4 0 0 1 1
5.3767102492 1.0000000000
5 0 0 1 1
15.8568248146 1.0000000000
6 0 0 1 1
46.7643265056 1.0000000000
7 1 1 1 1
0.2791733779 1.0000000000
8 1 1 1 1
0.7597034155 1.0000000000
9 1 1 1 1
8.0104160700 1.0000000000
10 2 2 1 1
0.4386074548 1.0000000000
11 2 2 1 1
2.2728344217 1.0000000000
12 3 3 1 1
0.5504494161 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 8.4e-07
B RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_8.4e-07
13
1 0 0 1 1
0.2795590646 1.0000000000
2 0 0 1 1
0.6490525811 1.0000000000
3 0 0 1 1
1.3641673187 1.0000000000
4 0 0 1 1
4.7327099132 1.0000000000
5 0 0 1 1
15.3866247994 1.0000000000
6 0 0 1 1
46.7578724023 1.0000000000
7 1 1 1 1
0.2667829069 1.0000000000
8 1 1 1 1
0.7006018892 1.0000000000
9 1 1 1 1
2.4338232209 1.0000000000
10 1 1 1 1
11.9303964003 1.0000000000
11 2 2 1 1
0.4388107433 1.0000000000
12 2 2 1 1
1.9054843743 1.0000000000
13 3 3 1 1
0.5245098254 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 2.0e-02
B RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.0e-02
9
1 0 0 1 1
0.2564726306 1.0000000000
2 0 0 1 1
0.5597857422 1.0000000000
3 0 0 1 1
1.7043028242 1.0000000000
4 0 0 1 1
8.9210964200 1.0000000000
5 0 0 1 1
46.0715304658 1.0000000000
6 1 1 1 1
0.3394107448 1.0000000000
7 1 1 1 1
0.8007981726 1.0000000000
8 1 1 1 1
4.7671779140 1.0000000000
9 2 2 1 1
0.7924889026 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 2.3e-03
B RI_aug-DZVP-MOLOPT-ae_N_RI_026_s_p_d_f_g_h_i_5_3_1_1_0_0_0_error_2.3e-03
10
1 0 0 1 1
0.2531919204 1.0000000000
2 0 0 1 1
0.5567015753 1.0000000000
3 0 0 1 1
1.6880530896 1.0000000000
4 0 0 1 1
8.8434280515 1.0000000000
5 0 0 1 1
45.9906164530 1.0000000000
6 1 1 1 1
0.3078115919 1.0000000000
7 1 1 1 1
0.7055911376 1.0000000000
8 1 1 1 1
1.6287629371 1.0000000000
9 2 2 1 1
0.6590424988 1.0000000000
10 3 3 1 1
0.5130681309 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 4.1e-05
B RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.1e-05
13
1 0 0 1 1
0.1552970154 1.0000000000
2 0 0 1 1
0.3482034165 1.0000000000
3 0 0 1 1
1.1145969782 1.0000000000
4 0 0 1 1
3.9529246997 1.0000000000
5 0 0 1 1
13.7870973928 1.0000000000
6 0 0 1 1
47.4916354174 1.0000000000
7 1 1 1 1
0.2801076159 1.0000000000
8 1 1 1 1
0.4443360202 1.0000000000
9 1 1 1 1
1.4008888782 1.0000000000
10 1 1 1 1
6.6588111268 1.0000000000
11 2 2 1 1
0.1911013608 1.0000000000
12 2 2 1 1
0.7616868087 1.0000000000
13 3 3 1 1
0.4017000541 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 1.5e-05
B RI_aug-DZVP-MOLOPT-ae_N_RI_045_s_p_d_f_g_h_i_6_5_2_2_0_0_0_error_1.5e-05
15
1 0 0 1 1
0.1718701132 1.0000000000
2 0 0 1 1
0.3480828739 1.0000000000
3 0 0 1 1
1.0648940759 1.0000000000
4 0 0 1 1
3.8839828905 1.0000000000
5 0 0 1 1
13.7366807467 1.0000000000
6 0 0 1 1
47.4452029724 1.0000000000
7 1 1 1 1
0.2282231194 1.0000000000
8 1 1 1 1
0.4695895530 1.0000000000
9 1 1 1 1
1.3610136161 1.0000000000
10 1 1 1 1
4.0023213190 1.0000000000
11 1 1 1 1
12.2019647697 1.0000000000
12 2 2 1 1
0.1614610529 1.0000000000
13 2 2 1 1
0.7726964308 1.0000000000
14 3 3 1 1
0.3422593493 1.0000000000
15 3 3 1 1
1.5468148392 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 5.2e-06
B RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_6_5_5_2_0_0_0_error_5.2e-06
18
1 0 0 1 1
0.2044863231 1.0000000000
2 0 0 1 1
0.3366459763 1.0000000000
3 0 0 1 1
0.8423151354 1.0000000000
4 0 0 1 1
3.2832130041 1.0000000000
5 0 0 1 1
13.2191036972 1.0000000000
6 0 0 1 1
47.0152130709 1.0000000000
7 1 1 1 1
0.2278202832 1.0000000000
8 1 1 1 1
0.5191913562 1.0000000000
9 1 1 1 1
1.2704821526 1.0000000000
10 1 1 1 1
3.8238353693 1.0000000000
11 1 1 1 1
12.1110876725 1.0000000000
12 2 2 1 1
0.1633837895 1.0000000000
13 2 2 1 1
0.3548407526 1.0000000000
14 2 2 1 1
0.7734409840 1.0000000000
15 2 2 1 1
1.6552406213 1.0000000000
16 2 2 1 1
3.5941425639 1.0000000000
17 3 3 1 1
0.3299952743 1.0000000000
18 3 3 1 1
1.3274783395 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 9.1e-07
B RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_5_5_2_1_0_0_error_9.1e-07
20
1 0 0 1 1
0.1773659770 1.0000000000
2 0 0 1 1
0.3175366721 1.0000000000
3 0 0 1 1
0.7074629922 1.0000000000
4 0 0 1 1
2.0199307728 1.0000000000
5 0 0 1 1
5.9270669433 1.0000000000
6 0 0 1 1
16.8628249356 1.0000000000
7 0 0 1 1
47.4043896805 1.0000000000
8 1 1 1 1
0.2235997374 1.0000000000
9 1 1 1 1
0.5239921141 1.0000000000
10 1 1 1 1
1.2791701953 1.0000000000
11 1 1 1 1
4.0687944057 1.0000000000
12 1 1 1 1
11.7068863231 1.0000000000
13 2 2 1 1
0.1524853889 1.0000000000
14 2 2 1 1
0.3552298298 1.0000000000
15 2 2 1 1
0.7711794526 1.0000000000
16 2 2 1 1
1.6605429017 1.0000000000
17 2 2 1 1
3.5985481333 1.0000000000
18 3 3 1 1
0.3187151452 1.0000000000
19 3 3 1 1
1.0339908044 1.0000000000
20 4 4 1 1
0.6493287535 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 3.5e-07
B RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_5_5_5_1_1_1_error_3.5e-07
25
1 0 0 1 1
0.1734220838 1.0000000000
2 0 0 1 1
0.3208947428 1.0000000000
3 0 0 1 1
0.7440076161 1.0000000000
4 0 0 1 1
2.0677296718 1.0000000000
5 0 0 1 1
5.9715250288 1.0000000000
6 0 0 1 1
16.9083520127 1.0000000000
7 0 0 1 1
47.4517765035 1.0000000000
8 1 1 1 1
0.2202878947 1.0000000000
9 1 1 1 1
0.4941093091 1.0000000000
10 1 1 1 1
1.4390234887 1.0000000000
11 1 1 1 1
4.0054845836 1.0000000000
12 1 1 1 1
12.2025491582 1.0000000000
13 2 2 1 1
0.1706233174 1.0000000000
14 2 2 1 1
0.3559161656 1.0000000000
15 2 2 1 1
0.7736745534 1.0000000000
16 2 2 1 1
1.6668166219 1.0000000000
17 2 2 1 1
3.6009638067 1.0000000000
18 3 3 1 1
0.2385153640 1.0000000000
19 3 3 1 1
0.3870522027 1.0000000000
20 3 3 1 1
0.6276442351 1.0000000000
21 3 3 1 1
1.0136901365 1.0000000000
22 3 3 1 1
1.6360602693 1.0000000000
23 4 4 1 1
0.6039468505 1.0000000000
24 5 5 1 1
1.0389702720 1.0000000000
25 6 6 1 1
1.1280327774 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 3.8e-03
B RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_3.8e-03
11
1 0 0 1 1
0.2524202319 1.0000000000
2 0 0 1 1
0.4265722672 1.0000000000
3 0 0 1 1
1.4824592982 1.0000000000
4 0 0 1 1
7.7968477178 1.0000000000
5 0 0 1 1
43.8112330272 1.0000000000
6 1 1 1 1
0.2976680716 1.0000000000
7 1 1 1 1
0.8089852537 1.0000000000
8 1 1 1 1
2.7907723928 1.0000000000
9 1 1 1 1
9.1572445847 1.0000000000
10 2 2 1 1
0.7024476962 1.0000000000
11 3 3 1 1
0.8247722601 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 5.1e-04
B RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_5.1e-04
12
1 0 0 1 1
0.1848683764 1.0000000000
2 0 0 1 1
0.3933770513 1.0000000000
3 0 0 1 1
1.1147311334 1.0000000000
4 0 0 1 1
5.6007277177 1.0000000000
5 0 0 1 1
35.1186194522 1.0000000000
6 1 1 1 1
0.2969247069 1.0000000000
7 1 1 1 1
0.4421497519 1.0000000000
8 1 1 1 1
1.9949113190 1.0000000000
9 1 1 1 1
10.5475889670 1.0000000000
10 2 2 1 1
0.3911041448 1.0000000000
11 2 2 1 1
0.9375856244 1.0000000000
12 3 3 1 1
0.7666416517 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 2.6e-04
B RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_2.6e-04
15
1 0 0 1 1
0.1880618703 1.0000000000
2 0 0 1 1
0.3123483443 1.0000000000
3 0 0 1 1
0.9753573507 1.0000000000
4 0 0 1 1
3.4317307741 1.0000000000
5 0 0 1 1
12.7641328041 1.0000000000
6 0 0 1 1
46.2395909795 1.0000000000
7 1 1 1 1
0.1838853606 1.0000000000
8 1 1 1 1
0.4924576967 1.0000000000
9 1 1 1 1
1.1923760727 1.0000000000
10 1 1 1 1
3.9446023358 1.0000000000
11 1 1 1 1
12.2286111122 1.0000000000
12 2 2 1 1
0.2538024037 1.0000000000
13 2 2 1 1
0.5576538341 1.0000000000
14 2 2 1 1
1.1491110018 1.0000000000
15 3 3 1 1
0.7813893372 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 4.2e-05
B RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_4.2e-05
17
1 0 0 1 1
0.2020070642 1.0000000000
2 0 0 1 1
0.2962409718 1.0000000000
3 0 0 1 1
0.9348951526 1.0000000000
4 0 0 1 1
3.3635597346 1.0000000000
5 0 0 1 1
12.6675671079 1.0000000000
6 0 0 1 1
46.1313627817 1.0000000000
7 1 1 1 1
0.1883716547 1.0000000000
8 1 1 1 1
0.4829326176 1.0000000000
9 1 1 1 1
1.1669707875 1.0000000000
10 1 1 1 1
3.8752642566 1.0000000000
11 1 1 1 1
12.1625382358 1.0000000000
12 2 2 1 1
0.1927728654 1.0000000000
13 2 2 1 1
0.5438829563 1.0000000000
14 2 2 1 1
1.1626953624 1.0000000000
15 3 3 1 1
0.2205426254 1.0000000000
16 3 3 1 1
0.8059823055 1.0000000000
17 4 4 1 1
0.5089116277 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 1.2e-05
B RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_6_5_4_2_2_0_0_error_1.2e-05
19
1 0 0 1 1
0.1530229343 1.0000000000
2 0 0 1 1
0.3803950221 1.0000000000
3 0 0 1 1
0.9297305065 1.0000000000
4 0 0 1 1
3.1408411688 1.0000000000
5 0 0 1 1
12.0601336716 1.0000000000
6 0 0 1 1
45.3274746487 1.0000000000
7 1 1 1 1
0.1599145932 1.0000000000
8 1 1 1 1
0.4890508250 1.0000000000
9 1 1 1 1
1.1115500104 1.0000000000
10 1 1 1 1
3.8173807021 1.0000000000
11 1 1 1 1
12.0636785241 1.0000000000
12 2 2 1 1
0.1807472194 1.0000000000
13 2 2 1 1
0.5306696038 1.0000000000
14 2 2 1 1
1.3769613680 1.0000000000
15 2 2 1 1
3.6971991940 1.0000000000
16 3 3 1 1
0.1875532938 1.0000000000
17 3 3 1 1
0.8372546215 1.0000000000
18 4 4 1 1
0.2488964568 1.0000000000
19 4 4 1 1
0.9679395434 1.0000000000
# RI basis set for B (all-electron) relative DI metric: 2.1e-06
B RI_aug-TZVP-MOLOPT-ae_N_RI_100_s_p_d_f_g_h_i_6_5_4_3_3_1_0_error_2.1e-06
22
1 0 0 1 1
0.1632978080 1.0000000000
2 0 0 1 1
0.3043203694 1.0000000000
3 0 0 1 1
1.0731289130 1.0000000000
4 0 0 1 1
3.6192731436 1.0000000000
5 0 0 1 1
13.0601773480 1.0000000000
6 0 0 1 1
46.5839292943 1.0000000000
7 1 1 1 1
0.1621382301 1.0000000000
8 1 1 1 1
0.4546183294 1.0000000000
9 1 1 1 1
1.1014930363 1.0000000000
10 1 1 1 1
3.9693787168 1.0000000000
11 1 1 1 1
12.2154888474 1.0000000000
12 2 2 1 1
0.1620114045 1.0000000000
13 2 2 1 1
0.5413195777 1.0000000000
14 2 2 1 1
1.4872996869 1.0000000000
15 2 2 1 1
3.9298507145 1.0000000000
16 3 3 1 1
0.1836690476 1.0000000000
17 3 3 1 1
0.6313504996 1.0000000000
18 3 3 1 1
1.6049622806 1.0000000000
19 4 4 1 1
0.1930818476 1.0000000000
20 4 4 1 1
0.4118707386 1.0000000000
21 4 4 1 1
0.9358813053 1.0000000000
22 5 5 1 1
1.0470452584 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 4.2e-03
C RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_5_2_0_0_0_0_0_error_4.2e-03
7
1 0 0 1 1
0.9165410533 1.0000000000
2 0 0 1 1
1.4278985792 1.0000000000
3 0 0 1 1
2.2042490497 1.0000000000
4 0 0 1 1
3.4333033407 1.0000000000
5 0 0 1 1
5.3971423888 1.0000000000
6 1 1 1 1
0.5144405644 1.0000000000
7 1 1 1 1
1.5558271972 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 7.2e-04
C RI_aug-SZV-MOLOPT-ae-mini_N_RI_017_s_p_d_f_g_h_i_6_2_1_0_0_0_0_error_7.2e-04
9
1 0 0 1 1
0.4616654402 1.0000000000
2 0 0 1 1
0.7017742317 1.0000000000
3 0 0 1 1
1.0817323319 1.0000000000
4 0 0 1 1
1.6888472776 1.0000000000
5 0 0 1 1
2.6403290997 1.0000000000
6 0 0 1 1
4.1302286700 1.0000000000
7 1 1 1 1
0.4113237826 1.0000000000
8 1 1 1 1
1.1163282358 1.0000000000
9 2 2 1 1
2.8337941285 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.4e-06
C RI_aug-SZV-MOLOPT-ae-mini_N_RI_022_s_p_d_f_g_h_i_6_2_2_0_0_0_0_error_1.4e-06
10
1 0 0 1 1
0.3573036368 1.0000000000
2 0 0 1 1
0.5859195274 1.0000000000
3 0 0 1 1
0.9625494398 1.0000000000
4 0 0 1 1
1.5830931274 1.0000000000
5 0 0 1 1
2.6028272414 1.0000000000
6 0 0 1 1
4.2787846013 1.0000000000
7 1 1 1 1
0.4130399935 1.0000000000
8 1 1 1 1
1.1752889367 1.0000000000
9 2 2 1 1
0.3194886190 1.0000000000
10 2 2 1 1
1.9687565083 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 6.8e-07
C RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_6.8e-07
11
1 0 0 1 1
0.2865589661 1.0000000000
2 0 0 1 1
0.5054104333 1.0000000000
3 0 0 1 1
0.8917487424 1.0000000000
4 0 0 1 1
1.5739361979 1.0000000000
5 0 0 1 1
2.7775633148 1.0000000000
6 0 0 1 1
4.9013678368 1.0000000000
7 1 1 1 1
0.4277251216 1.0000000000
8 1 1 1 1
1.0549895554 1.0000000000
9 1 1 1 1
4.5821662285 1.0000000000
10 2 2 1 1
0.3092837680 1.0000000000
11 2 2 1 1
1.9084499044 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 2.1e-07
C RI_aug-SZV-MOLOPT-ae-mini_N_RI_040_s_p_d_f_g_h_i_7_6_3_0_0_0_0_error_2.1e-07
16
1 0 0 1 1
0.2864002389 1.0000000000
2 0 0 1 1
0.4597640659 1.0000000000
3 0 0 1 1
0.7380803313 1.0000000000
4 0 0 1 1
1.1848770535 1.0000000000
5 0 0 1 1
1.9021383792 1.0000000000
6 0 0 1 1
3.0535906080 1.0000000000
7 0 0 1 1
4.9020648570 1.0000000000
8 1 1 1 1
0.2863950499 1.0000000000
9 1 1 1 1
0.5054152627 1.0000000000
10 1 1 1 1
0.8919313814 1.0000000000
11 1 1 1 1
1.5740353863 1.0000000000
12 1 1 1 1
2.7777779108 1.0000000000
13 1 1 1 1
4.9020816667 1.0000000000
14 2 2 1 1
0.3266817287 1.0000000000
15 2 2 1 1
1.3251221295 1.0000000000
16 2 2 1 1
4.6198641560 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.3e-10
C RI_aug-SZV-MOLOPT-ae-mini_N_RI_050_s_p_d_f_g_h_i_7_6_5_0_0_0_0_error_1.3e-10
18
1 0 0 1 1
0.2863950000 1.0000000000
2 0 0 1 1
0.4597636339 1.0000000000
3 0 0 1 1
0.7380806195 1.0000000000
4 0 0 1 1
1.1848762294 1.0000000000
5 0 0 1 1
1.9021386578 1.0000000000
6 0 0 1 1
3.0535944462 1.0000000000
7 0 0 1 1
4.9020816667 1.0000000000
8 1 1 1 1
0.2863950000 1.0000000000
9 1 1 1 1
0.5054153802 1.0000000000
10 1 1 1 1
0.8919314462 1.0000000000
11 1 1 1 1
1.5740354092 1.0000000000
12 1 1 1 1
2.7777779108 1.0000000000
13 1 1 1 1
4.9020816667 1.0000000000
14 2 2 1 1
0.2863950000 1.0000000000
15 2 2 1 1
0.5825312247 1.0000000000
16 2 2 1 1
1.1848762294 1.0000000000
17 2 2 1 1
2.4100539499 1.0000000000
18 2 2 1 1
4.9020816667 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 2.0e-11
C RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.0e-11
19
1 0 0 1 1
0.2863950000 1.0000000000
2 0 0 1 1
0.4597636339 1.0000000000
3 0 0 1 1
0.7380806195 1.0000000000
4 0 0 1 1
1.1848762294 1.0000000000
5 0 0 1 1
1.9021386578 1.0000000000
6 0 0 1 1
3.0535944462 1.0000000000
7 0 0 1 1
4.9020816667 1.0000000000
8 1 1 1 1
0.2863950000 1.0000000000
9 1 1 1 1
0.5054153802 1.0000000000
10 1 1 1 1
0.8919314462 1.0000000000
11 1 1 1 1
1.5740354092 1.0000000000
12 1 1 1 1
2.7777779108 1.0000000000
13 1 1 1 1
4.9020816667 1.0000000000
14 2 2 1 1
0.2863950000 1.0000000000
15 2 2 1 1
0.5054153802 1.0000000000
16 2 2 1 1
0.8919314462 1.0000000000
17 2 2 1 1
1.5740354092 1.0000000000
18 2 2 1 1
2.7777779108 1.0000000000
19 2 2 1 1
4.9020816667 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.2e-02
C RI_aug-SZV-MOLOPT-ae-SR_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.2e-02
4
1 0 0 1 1
2.8934416376 1.0000000000
2 0 0 1 1
8.9886817802 1.0000000000
3 1 1 1 1
0.8321629877 1.0000000000
4 2 2 1 1
0.7411049496 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 3.2e-03
C RI_aug-SZV-MOLOPT-ae-SR_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_3.2e-03
8
1 0 0 1 1
0.3217228640 1.0000000000
2 0 0 1 1
0.8553597430 1.0000000000
3 0 0 1 1
8.3280146579 1.0000000000
4 0 0 1 1
81.3804831356 1.0000000000
5 1 1 1 1
1.0347513413 1.0000000000
6 1 1 1 1
2.1392175445 1.0000000000
7 1 1 1 1
4.5792995891 1.0000000000
8 2 2 1 1
0.5456040832 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.0e-04
C RI_aug-SZV-MOLOPT-ae-SR_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_1.0e-04
11
1 0 0 1 1
0.2759929116 1.0000000000
2 0 0 1 1
1.0923842149 1.0000000000
3 0 0 1 1
4.9019866910 1.0000000000
4 0 0 1 1
20.2730739459 1.0000000000
5 0 0 1 1
80.8351403533 1.0000000000
6 1 1 1 1
0.6587945534 1.0000000000
7 1 1 1 1
2.3331948867 1.0000000000
8 1 1 1 1
6.3481850853 1.0000000000
9 1 1 1 1
17.6378720562 1.0000000000
10 2 2 1 1
0.5873038702 1.0000000000
11 3 3 1 1
1.0356515402 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 3.3e-05
C RI_aug-SZV-MOLOPT-ae-SR_N_RI_045_s_p_d_f_g_h_i_6_5_2_2_0_0_0_error_3.3e-05
15
1 0 0 1 1
0.3356260130 1.0000000000
2 0 0 1 1
1.0121926865 1.0000000000
3 0 0 1 1
3.1155677619 1.0000000000
4 0 0 1 1
9.2320465028 1.0000000000
5 0 0 1 1
27.1304876148 1.0000000000
6 0 0 1 1
79.5971566998 1.0000000000
7 1 1 1 1
0.4304308067 1.0000000000
8 1 1 1 1
0.5579024388 1.0000000000
9 1 1 1 1
1.5959551455 1.0000000000
10 1 1 1 1
5.0691126601 1.0000000000
11 1 1 1 1
15.1997043408 1.0000000000
12 2 2 1 1
0.5220831846 1.0000000000
13 2 2 1 1
2.5228041102 1.0000000000
14 3 3 1 1
0.5883496293 1.0000000000
15 3 3 1 1
2.5197345063 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 9.8e-06
C RI_aug-SZV-MOLOPT-ae-SR_N_RI_054_s_p_d_f_g_h_i_6_5_2_2_1_0_0_error_9.8e-06
16
1 0 0 1 1
0.3149722647 1.0000000000
2 0 0 1 1
0.9498328706 1.0000000000
3 0 0 1 1
2.3588023813 1.0000000000
4 0 0 1 1
7.6219014679 1.0000000000
5 0 0 1 1
25.0528864944 1.0000000000
6 0 0 1 1
80.2666991396 1.0000000000
7 1 1 1 1
0.2803225733 1.0000000000
8 1 1 1 1
0.4728186015 1.0000000000
9 1 1 1 1
1.4360019609 1.0000000000
10 1 1 1 1
5.0091423988 1.0000000000
11 1 1 1 1
16.4123995279 1.0000000000
12 2 2 1 1
0.4638938776 1.0000000000
13 2 2 1 1
2.6350441175 1.0000000000
14 3 3 1 1
0.6520959885 1.0000000000
15 3 3 1 1
2.3460470961 1.0000000000
16 4 4 1 1
1.1084873393 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 9.1e-07
C RI_aug-SZV-MOLOPT-ae-SR_N_RI_075_s_p_d_f_g_h_i_6_5_3_3_2_0_0_error_9.1e-07
19
1 0 0 1 1
0.3069938763 1.0000000000
2 0 0 1 1
0.9468618000 1.0000000000
3 0 0 1 1
1.2688573114 1.0000000000
4 0 0 1 1
4.9251778562 1.0000000000
5 0 0 1 1
21.6436483878 1.0000000000
6 0 0 1 1
78.5004035044 1.0000000000
7 1 1 1 1
0.2807876683 1.0000000000
8 1 1 1 1
0.4776988648 1.0000000000
9 1 1 1 1
1.3998003965 1.0000000000
10 1 1 1 1
4.8178395166 1.0000000000
11 1 1 1 1
16.2028897637 1.0000000000
12 2 2 1 1
0.4258849991 1.0000000000
13 2 2 1 1
1.2882452526 1.0000000000
14 2 2 1 1
2.3353791373 1.0000000000
15 3 3 1 1
0.4414571449 1.0000000000
16 3 3 1 1
0.9016876340 1.0000000000
17 3 3 1 1
2.5321100326 1.0000000000
18 4 4 1 1
0.9344096601 1.0000000000
19 4 4 1 1
1.5355888317 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.1e-02
C RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.1e-02
4
1 0 0 1 1
2.6191396176 1.0000000000
2 0 0 1 1
13.3812594461 1.0000000000
3 1 1 1 1
0.8555145853 1.0000000000
4 2 2 1 1
0.6928828507 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 6.7e-04
C RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_6.7e-04
9
1 0 0 1 1
0.2056033452 1.0000000000
2 0 0 1 1
0.8049620781 1.0000000000
3 0 0 1 1
4.6057255680 1.0000000000
4 0 0 1 1
20.1691260708 1.0000000000
5 0 0 1 1
81.6618981877 1.0000000000
6 1 1 1 1
0.2376347921 1.0000000000
7 1 1 1 1
1.0237565019 1.0000000000
8 2 2 1 1
0.5817360740 1.0000000000
9 3 3 1 1
1.1168326622 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.7e-04
C RI_aug-SZV-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_5_3_2_2_1_0_0_error_1.7e-04
13
1 0 0 1 1
0.2159960852 1.0000000000
2 0 0 1 1
0.5588459320 1.0000000000
3 0 0 1 1
3.1133491855 1.0000000000
4 0 0 1 1
16.0358596352 1.0000000000
5 0 0 1 1
82.3413151158 1.0000000000
6 1 1 1 1
0.1880256744 1.0000000000
7 1 1 1 1
0.8850463414 1.0000000000
8 1 1 1 1
15.6318792293 1.0000000000
9 2 2 1 1
0.4931594824 1.0000000000
10 2 2 1 1
3.1394161483 1.0000000000
11 3 3 1 1
0.6068637805 1.0000000000
12 3 3 1 1
2.6402812005 1.0000000000
13 4 4 1 1
1.0891285069 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 8.4e-05
C RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_8.4e-05
14
1 0 0 1 1
0.1821321734 1.0000000000
2 0 0 1 1
0.4339049118 1.0000000000
3 0 0 1 1
1.6206925128 1.0000000000
4 0 0 1 1
5.9996611038 1.0000000000
5 0 0 1 1
22.2249632951 1.0000000000
6 0 0 1 1
82.3297694046 1.0000000000
7 1 1 1 1
0.2135936218 1.0000000000
8 1 1 1 1
0.9158565360 1.0000000000
9 1 1 1 1
9.2848609404 1.0000000000
10 2 2 1 1
0.3811247059 1.0000000000
11 2 2 1 1
1.5814884974 1.0000000000
12 3 3 1 1
0.5244458254 1.0000000000
13 3 3 1 1
2.6771569161 1.0000000000
14 4 4 1 1
1.2176655648 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 3.9e-02
C RI_aug-DZVP-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_3.9e-02
4
1 0 0 1 1
3.5834788500 1.0000000000
2 0 0 1 1
8.3106857686 1.0000000000
3 1 1 1 1
0.8997380223 1.0000000000
4 2 2 1 1
1.0578164454 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 9.3e-03
C RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_9.3e-03
8
1 0 0 1 1
0.2711703797 1.0000000000
2 0 0 1 1
1.5223072417 1.0000000000
3 0 0 1 1
14.5066017156 1.0000000000
4 0 0 1 1
102.3848656322 1.0000000000
5 1 1 1 1
0.2265737154 1.0000000000
6 1 1 1 1
1.6588365523 1.0000000000
7 1 1 1 1
23.8479103620 1.0000000000
8 2 2 1 1
1.0207681204 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 2.6e-03
C RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_2.6e-03
11
1 0 0 1 1
0.0733635045 1.0000000000
2 0 0 1 1
0.4365138690 1.0000000000
3 0 0 1 1
2.2504763586 1.0000000000
4 0 0 1 1
11.7965818644 1.0000000000
5 0 0 1 1
68.6282556583 1.0000000000
6 1 1 1 1
0.1825549481 1.0000000000
7 1 1 1 1
0.7011234039 1.0000000000
8 1 1 1 1
3.0030147576 1.0000000000
9 1 1 1 1
13.6375596795 1.0000000000
10 2 2 1 1
0.9597351493 1.0000000000
11 3 3 1 1
1.0420807849 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 4.2e-04
C RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_4.2e-04
13
1 0 0 1 1
0.1345134311 1.0000000000
2 0 0 1 1
0.3916635522 1.0000000000
3 0 0 1 1
1.4042738635 1.0000000000
4 0 0 1 1
5.6058181254 1.0000000000
5 0 0 1 1
21.9005336645 1.0000000000
6 0 0 1 1
82.0221874732 1.0000000000
7 1 1 1 1
0.3453422395 1.0000000000
8 1 1 1 1
0.7276422870 1.0000000000
9 1 1 1 1
3.0218755068 1.0000000000
10 1 1 1 1
16.0345515256 1.0000000000
11 2 2 1 1
0.4364735168 1.0000000000
12 2 2 1 1
1.3304225057 1.0000000000
13 3 3 1 1
0.9496592034 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.2e-04
C RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_6_4_3_2_0_0_0_error_1.2e-04
15
1 0 0 1 1
0.2548416823 1.0000000000
2 0 0 1 1
0.4225888673 1.0000000000
3 0 0 1 1
1.2992930855 1.0000000000
4 0 0 1 1
5.6847231578 1.0000000000
5 0 0 1 1
22.0161608401 1.0000000000
6 0 0 1 1
82.1039673190 1.0000000000
7 1 1 1 1
0.2993248895 1.0000000000
8 1 1 1 1
0.9395696949 1.0000000000
9 1 1 1 1
3.3571598066 1.0000000000
10 1 1 1 1
16.3652385615 1.0000000000
11 2 2 1 1
0.2819367454 1.0000000000
12 2 2 1 1
0.8119306759 1.0000000000
13 2 2 1 1
2.9312130473 1.0000000000
14 3 3 1 1
0.3398155817 1.0000000000
15 3 3 1 1
1.3511942136 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 4.4e-05
C RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_4.4e-05
18
1 0 0 1 1
0.1390291015 1.0000000000
2 0 0 1 1
0.3509347299 1.0000000000
3 0 0 1 1
1.0271052919 1.0000000000
4 0 0 1 1
3.1151077202 1.0000000000
5 0 0 1 1
9.2926918292 1.0000000000
6 0 0 1 1
27.6625493769 1.0000000000
7 0 0 1 1
82.3450417359 1.0000000000
8 1 1 1 1
0.2637372023 1.0000000000
9 1 1 1 1
0.7115755304 1.0000000000
10 1 1 1 1
1.8135481674 1.0000000000
11 1 1 1 1
5.5722279923 1.0000000000
12 1 1 1 1
16.9742997541 1.0000000000
13 2 2 1 1
0.2607196960 1.0000000000
14 2 2 1 1
0.7220373754 1.0000000000
15 2 2 1 1
2.0606421767 1.0000000000
16 3 3 1 1
0.2950192530 1.0000000000
17 3 3 1 1
1.2286389294 1.0000000000
18 4 4 1 1
0.7351949451 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 8.9e-06
C RI_aug-DZVP-MOLOPT-ae_N_RI_067_s_p_d_f_g_h_i_7_5_3_3_1_0_0_error_8.9e-06
19
1 0 0 1 1
0.1392308281 1.0000000000
2 0 0 1 1
0.3594750654 1.0000000000
3 0 0 1 1
1.0490847875 1.0000000000
4 0 0 1 1
3.1159061908 1.0000000000
5 0 0 1 1
9.2968462872 1.0000000000
6 0 0 1 1
27.6818435712 1.0000000000
7 0 0 1 1
82.3646151150 1.0000000000
8 1 1 1 1
0.1841999814 1.0000000000
9 1 1 1 1
0.5435907574 1.0000000000
10 1 1 1 1
1.4445226480 1.0000000000
11 1 1 1 1
5.4334740731 1.0000000000
12 1 1 1 1
16.9478360702 1.0000000000
13 2 2 1 1
0.2245613307 1.0000000000
14 2 2 1 1
0.6869642339 1.0000000000
15 2 2 1 1
1.9876949896 1.0000000000
16 3 3 1 1
0.2549923466 1.0000000000
17 3 3 1 1
0.8369349474 1.0000000000
18 3 3 1 1
2.5905900447 1.0000000000
19 4 4 1 1
0.2503300668 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.4e-06
C RI_aug-DZVP-MOLOPT-ae_N_RI_077_s_p_d_f_g_h_i_7_5_5_3_1_0_0_error_1.4e-06
21
1 0 0 1 1
0.1955832419 1.0000000000
2 0 0 1 1
0.3052133491 1.0000000000
3 0 0 1 1
0.9119275529 1.0000000000
4 0 0 1 1
3.0250187367 1.0000000000
5 0 0 1 1
9.1842143255 1.0000000000
6 0 0 1 1
27.5333685150 1.0000000000
7 0 0 1 1
82.2125736520 1.0000000000
8 1 1 1 1
0.2070043555 1.0000000000
9 1 1 1 1
0.4914244786 1.0000000000
10 1 1 1 1
1.2856283304 1.0000000000
11 1 1 1 1
5.2297462358 1.0000000000
12 1 1 1 1
16.5076285357 1.0000000000
13 2 2 1 1
0.2796186251 1.0000000000
14 2 2 1 1
0.4629816850 1.0000000000
15 2 2 1 1
0.9633760652 1.0000000000
16 2 2 1 1
1.9751437949 1.0000000000
17 2 2 1 1
4.3178639365 1.0000000000
18 3 3 1 1
0.2869154674 1.0000000000
19 3 3 1 1
0.7525257679 1.0000000000
20 3 3 1 1
2.2791356262 1.0000000000
21 4 4 1 1
0.2837293445 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 6.7e-07
C RI_aug-DZVP-MOLOPT-ae_N_RI_102_s_p_d_f_g_h_i_7_5_5_4_3_0_0_error_6.7e-07
24
1 0 0 1 1
0.1767727781 1.0000000000
2 0 0 1 1
0.2827685508 1.0000000000
3 0 0 1 1
0.8566204523 1.0000000000
4 0 0 1 1
2.9871605018 1.0000000000
5 0 0 1 1
9.1588633448 1.0000000000
6 0 0 1 1
27.4926875641 1.0000000000
7 0 0 1 1
82.1681561206 1.0000000000
8 1 1 1 1
0.1968071375 1.0000000000
9 1 1 1 1
0.4781569745 1.0000000000
10 1 1 1 1
1.1628213623 1.0000000000
11 1 1 1 1
4.4736836509 1.0000000000
12 1 1 1 1
16.1955118487 1.0000000000
13 2 2 1 1
0.3101728219 1.0000000000
14 2 2 1 1
0.4755210547 1.0000000000
15 2 2 1 1
0.9607454810 1.0000000000
16 2 2 1 1
1.9215223724 1.0000000000
17 2 2 1 1
4.3452027987 1.0000000000
18 3 3 1 1
0.2389632979 1.0000000000
19 3 3 1 1
0.6159237674 1.0000000000
20 3 3 1 1
1.2146585960 1.0000000000
21 3 3 1 1
2.3777185464 1.0000000000
22 4 4 1 1
0.4154542817 1.0000000000
23 4 4 1 1
0.7741176275 1.0000000000
24 4 4 1 1
1.3562318230 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 3.4e-02
C RI_aug-TZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_3_1_1_1_0_0_0_error_3.4e-02
6
1 0 0 1 1
3.1502690553 1.0000000000
2 0 0 1 1
7.6484813809 1.0000000000
3 0 0 1 1
18.9617076378 1.0000000000
4 1 1 1 1
0.8847028649 1.0000000000
5 2 2 1 1
1.1047708862 1.0000000000
6 3 3 1 1
1.3318123137 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.2e-02
C RI_aug-TZVP-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_4_2_1_1_0_0_0_error_1.2e-02
8
1 0 0 1 1
0.3146504172 1.0000000000
2 0 0 1 1
1.8480009838 1.0000000000
3 0 0 1 1
10.8544133630 1.0000000000
4 0 0 1 1
63.7534153533 1.0000000000
5 1 1 1 1
0.6532518785 1.0000000000
6 1 1 1 1
1.4132944048 1.0000000000
7 2 2 1 1
1.0394040421 1.0000000000
8 3 3 1 1
1.1497038199 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 4.6e-03
C RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_4.6e-03
11
1 0 0 1 1
0.0922372318 1.0000000000
2 0 0 1 1
0.4332285265 1.0000000000
3 0 0 1 1
1.5881140243 1.0000000000
4 0 0 1 1
5.8139558174 1.0000000000
5 0 0 1 1
21.9618430614 1.0000000000
6 0 0 1 1
82.0218695250 1.0000000000
7 1 1 1 1
0.6422257434 1.0000000000
8 1 1 1 1
1.2971227977 1.0000000000
9 2 2 1 1
0.7931472045 1.0000000000
10 2 2 1 1
2.6128011914 1.0000000000
11 3 3 1 1
1.0957881873 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 2.3e-03
C RI_aug-TZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_6_3_2_1_1_0_0_error_2.3e-03
13
1 0 0 1 1
0.1301411497 1.0000000000
2 0 0 1 1
0.4143152929 1.0000000000
3 0 0 1 1
1.4140293514 1.0000000000
4 0 0 1 1
5.5423831131 1.0000000000
5 0 0 1 1
21.6007934991 1.0000000000
6 0 0 1 1
81.5907587316 1.0000000000
7 1 1 1 1
0.5844974760 1.0000000000
8 1 1 1 1
1.2231289523 1.0000000000
9 1 1 1 1
11.9736958952 1.0000000000
10 2 2 1 1
0.7847099972 1.0000000000
11 2 2 1 1
2.2270150443 1.0000000000
12 3 3 1 1
1.1041613775 1.0000000000
13 4 4 1 1
1.1590919683 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 6.0e-04
C RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_6.0e-04
14
1 0 0 1 1
0.2456758592 1.0000000000
2 0 0 1 1
0.4244099874 1.0000000000
3 0 0 1 1
1.2409992889 1.0000000000
4 0 0 1 1
5.1873610724 1.0000000000
5 0 0 1 1
21.0862483820 1.0000000000
6 0 0 1 1
80.9594150705 1.0000000000
7 1 1 1 1
0.5229370070 1.0000000000
8 1 1 1 1
1.7293501734 1.0000000000
9 1 1 1 1
10.1113416740 1.0000000000
10 2 2 1 1
0.6850969105 1.0000000000
11 2 2 1 1
2.0071949515 1.0000000000
12 3 3 1 1
0.5522346945 1.0000000000
13 3 3 1 1
1.8297097626 1.0000000000
14 4 4 1 1
1.0099496878 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 2.8e-04
C RI_aug-TZVP-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_6_4_2_2_1_0_0_error_2.8e-04
15
1 0 0 1 1
0.2393535841 1.0000000000
2 0 0 1 1
0.4775796096 1.0000000000
3 0 0 1 1
1.4795968593 1.0000000000
4 0 0 1 1
5.6948037427 1.0000000000
5 0 0 1 1
21.8200938338 1.0000000000
6 0 0 1 1
81.8483680819 1.0000000000
7 1 1 1 1
0.4572971321 1.0000000000
8 1 1 1 1
1.0703773320 1.0000000000
9 1 1 1 1
3.2149656981 1.0000000000
10 1 1 1 1
16.2979482614 1.0000000000
11 2 2 1 1
0.6858802217 1.0000000000
12 2 2 1 1
1.9650556217 1.0000000000
13 3 3 1 1
0.6264377365 1.0000000000
14 3 3 1 1
1.6115990986 1.0000000000
15 4 4 1 1
1.0062094734 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 1.0e-04
C RI_aug-TZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_6_4_3_2_2_0_0_error_1.0e-04
17
1 0 0 1 1
0.2553243297 1.0000000000
2 0 0 1 1
0.5190956392 1.0000000000
3 0 0 1 1
1.3854298055 1.0000000000
4 0 0 1 1
5.3861610044 1.0000000000
5 0 0 1 1
21.3951993307 1.0000000000
6 0 0 1 1
81.3672493566 1.0000000000
7 1 1 1 1
0.3283794717 1.0000000000
8 1 1 1 1
0.8032542751 1.0000000000
9 1 1 1 1
2.7016325675 1.0000000000
10 1 1 1 1
13.5533669435 1.0000000000
11 2 2 1 1
0.4344577581 1.0000000000
12 2 2 1 1
1.0554467672 1.0000000000
13 2 2 1 1
3.6086562132 1.0000000000
14 3 3 1 1
0.5330765737 1.0000000000
15 3 3 1 1
1.5752779669 1.0000000000
16 4 4 1 1
0.6204974632 1.0000000000
17 4 4 1 1
1.5043818154 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 4.5e-05
C RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_4_3_3_2_0_0_error_4.5e-05
19
1 0 0 1 1
0.0918159897 1.0000000000
2 0 0 1 1
0.2871747535 1.0000000000
3 0 0 1 1
0.8110529957 1.0000000000
4 0 0 1 1
2.6310511956 1.0000000000
5 0 0 1 1
8.6342127738 1.0000000000
6 0 0 1 1
27.1352682871 1.0000000000
7 0 0 1 1
81.8481250191 1.0000000000
8 1 1 1 1
0.3914546745 1.0000000000
9 1 1 1 1
0.7926471525 1.0000000000
10 1 1 1 1
2.7357356707 1.0000000000
11 1 1 1 1
14.1328788527 1.0000000000
12 2 2 1 1
0.4531991776 1.0000000000
13 2 2 1 1
1.0508314697 1.0000000000
14 2 2 1 1
3.5314239833 1.0000000000
15 3 3 1 1
0.4935957141 1.0000000000
16 3 3 1 1
1.0944165437 1.0000000000
17 3 3 1 1
2.2479699281 1.0000000000
18 4 4 1 1
0.5526779684 1.0000000000
19 4 4 1 1
1.6172510149 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 2.0e-05
C RI_aug-TZVP-MOLOPT-ae_N_RI_076_s_p_d_f_g_h_i_7_5_3_3_2_0_0_error_2.0e-05
20
1 0 0 1 1
0.2921370058 1.0000000000
2 0 0 1 1
0.6801182066 1.0000000000
3 0 0 1 1
1.4987697876 1.0000000000
4 0 0 1 1
4.0284301435 1.0000000000
5 0 0 1 1
11.1650300514 1.0000000000
6 0 0 1 1
30.3522867455 1.0000000000
7 0 0 1 1
81.6709361233 1.0000000000
8 1 1 1 1
0.3930677715 1.0000000000
9 1 1 1 1
0.6102702938 1.0000000000
10 1 1 1 1
1.7527838356 1.0000000000
11 1 1 1 1
5.8743527677 1.0000000000
12 1 1 1 1
15.4414492584 1.0000000000
13 2 2 1 1
0.3924950599 1.0000000000
14 2 2 1 1
1.0472644196 1.0000000000
15 2 2 1 1
3.5391789208 1.0000000000
16 3 3 1 1
0.5282375045 1.0000000000
17 3 3 1 1
1.1503554926 1.0000000000
18 3 3 1 1
3.0803726175 1.0000000000
19 4 4 1 1
0.4850018364 1.0000000000
20 4 4 1 1
1.5606725484 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 6.6e-06
C RI_aug-TZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_6.6e-06
22
1 0 0 1 1
0.1475763200 1.0000000000
2 0 0 1 1
0.2735512852 1.0000000000
3 0 0 1 1
0.7613873413 1.0000000000
4 0 0 1 1
2.3137161906 1.0000000000
5 0 0 1 1
7.8973936221 1.0000000000
6 0 0 1 1
26.7995019274 1.0000000000
7 0 0 1 1
81.4850808681 1.0000000000
8 1 1 1 1
0.3445629898 1.0000000000
9 1 1 1 1
0.4913651387 1.0000000000
10 1 1 1 1
1.1111614743 1.0000000000
11 1 1 1 1
2.8095573455 1.0000000000
12 1 1 1 1
7.0571881063 1.0000000000
13 1 1 1 1
17.0380536816 1.0000000000
14 2 2 1 1
0.2279443797 1.0000000000
15 2 2 1 1
0.4312587874 1.0000000000
16 2 2 1 1
1.2430028245 1.0000000000
17 2 2 1 1
3.7705245424 1.0000000000
18 3 3 1 1
0.5355551805 1.0000000000
19 3 3 1 1
1.3457995671 1.0000000000
20 3 3 1 1
3.7420977382 1.0000000000
21 4 4 1 1
0.5467181097 1.0000000000
22 4 4 1 1
1.7384751607 1.0000000000
# RI basis set for C (all-electron) relative DI metric: 3.2e-06
C RI_aug-TZVP-MOLOPT-ae_N_RI_094_s_p_d_f_g_h_i_7_6_6_3_2_0_0_error_3.2e-06
24
1 0 0 1 1
0.1823749974 1.0000000000
2 0 0 1 1
0.2786247028 1.0000000000
3 0 0 1 1
0.7533443142 1.0000000000
4 0 0 1 1
2.2472189038 1.0000000000
5 0 0 1 1
7.1637658207 1.0000000000
6 0 0 1 1
24.8066644242 1.0000000000
7 0 0 1 1
79.3320585465 1.0000000000
8 1 1 1 1
0.3505431095 1.0000000000
9 1 1 1 1
0.4925200015 1.0000000000
10 1 1 1 1
1.0634823891 1.0000000000
11 1 1 1 1
2.6824263758 1.0000000000
12 1 1 1 1
6.9909328723 1.0000000000
13 1 1 1 1
16.9666942531 1.0000000000
14 2 2 1 1
0.2161262158 1.0000000000
15 2 2 1 1
0.3873638660 1.0000000000
16 2 2 1 1
0.7151141494 1.0000000000
17 2 2 1 1
1.3134627766 1.0000000000
18 2 2 1 1
2.4175214579 1.0000000000
19 2 2 1 1
4.5730455738 1.0000000000
20 3 3 1 1
0.5308746655 1.0000000000
21 3 3 1 1
1.3208422005 1.0000000000
22 3 3 1 1
3.8822698538 1.0000000000
23 4 4 1 1
0.5473649493 1.0000000000
24 4 4 1 1
1.5483278866 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.7e-02
N RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_2.7e-02
4
1 0 0 1 1
0.9554107134 1.0000000000
2 0 0 1 1
1.6511801180 1.0000000000
3 0 0 1 1
2.8482258727 1.0000000000
4 1 1 1 1
4.0271620921 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 6.9e-04
N RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_6.9e-04
8
1 0 0 1 1
0.4093569870 1.0000000000
2 0 0 1 1
1.2514964904 1.0000000000
3 0 0 1 1
3.0013349844 1.0000000000
4 0 0 1 1
5.5611333166 1.0000000000
5 1 1 1 1
0.2443110997 1.0000000000
6 1 1 1 1
1.1895082980 1.0000000000
7 1 1 1 1
8.2457522637 1.0000000000
8 2 2 1 1
2.9780390367 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.0e-06
N RI_aug-SZV-MOLOPT-ae-mini_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.0e-06
9
1 0 0 1 1
0.2699823251 1.0000000000
2 0 0 1 1
0.7738294534 1.0000000000
3 0 0 1 1
2.2285298905 1.0000000000
4 0 0 1 1
6.2958666392 1.0000000000
5 1 1 1 1
0.2902924101 1.0000000000
6 1 1 1 1
1.3370551211 1.0000000000
7 1 1 1 1
6.2062418173 1.0000000000
8 2 2 1 1
0.2474730899 1.0000000000
9 2 2 1 1
2.3684737679 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.8e-07
N RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_5_4_4_0_0_0_0_error_2.8e-07
13
1 0 0 1 1
0.2800299976 1.0000000000
2 0 0 1 1
0.6098901574 1.0000000000
3 0 0 1 1
1.3283077039 1.0000000000
4 0 0 1 1
2.8929821689 1.0000000000
5 0 0 1 1
6.3007583322 1.0000000000
6 1 1 1 1
0.2800300019 1.0000000000
7 1 1 1 1
0.7905584489 1.0000000000
8 1 1 1 1
2.2318417556 1.0000000000
9 1 1 1 1
6.3007583319 1.0000000000
10 2 2 1 1
0.2800299987 1.0000000000
11 2 2 1 1
0.7905584420 1.0000000000
12 2 2 1 1
2.2318417829 1.0000000000
13 2 2 1 1
6.3007583275 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.3e-07
N RI_aug-SZV-MOLOPT-ae-mini_N_RI_038_s_p_d_f_g_h_i_6_4_4_0_0_0_0_error_1.3e-07
14
1 0 0 1 1
0.2800299997 1.0000000000
2 0 0 1 1
0.5219659975 1.0000000000
3 0 0 1 1
0.9729261250 1.0000000000
4 0 0 1 1
1.8134998234 1.0000000000
5 0 0 1 1
3.3802994135 1.0000000000
6 0 0 1 1
6.3007583334 1.0000000000
7 1 1 1 1
0.2800300016 1.0000000000
8 1 1 1 1
0.7905584486 1.0000000000
9 1 1 1 1
2.2318417569 1.0000000000
10 1 1 1 1
6.3007583319 1.0000000000
11 2 2 1 1
0.2800299995 1.0000000000
12 2 2 1 1
0.7905584425 1.0000000000
13 2 2 1 1
2.2318417764 1.0000000000
14 2 2 1 1
6.3007583311 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 3.0e-08
N RI_aug-SZV-MOLOPT-ae-mini_N_RI_041_s_p_d_f_g_h_i_6_5_4_0_0_0_0_error_3.0e-08
15
1 0 0 1 1
0.2800299997 1.0000000000
2 0 0 1 1
0.5219659976 1.0000000000
3 0 0 1 1
0.9729261250 1.0000000000
4 0 0 1 1
1.8134998234 1.0000000000
5 0 0 1 1
3.3802994135 1.0000000000
6 0 0 1 1
6.3007583335 1.0000000000
7 1 1 1 1
0.2800300000 1.0000000000
8 1 1 1 1
0.6098901592 1.0000000000
9 1 1 1 1
1.3283077039 1.0000000000
10 1 1 1 1
2.8929821697 1.0000000000
11 1 1 1 1
6.3007583333 1.0000000000
12 2 2 1 1
0.2800299995 1.0000000000
13 2 2 1 1
0.7905584425 1.0000000000
14 2 2 1 1
2.2318417764 1.0000000000
15 2 2 1 1
6.3007583311 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 6.8e-09
N RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_6.8e-09
17
1 0 0 1 1
0.2800300000 1.0000000000
2 0 0 1 1
0.4705104470 1.0000000000
3 0 0 1 1
0.7905584428 1.0000000000
4 0 0 1 1
1.3283077038 1.0000000000
5 0 0 1 1
2.2318417723 1.0000000000
6 0 0 1 1
3.7499727526 1.0000000000
7 0 0 1 1
6.3007583333 1.0000000000
8 1 1 1 1
0.2800300000 1.0000000000
9 1 1 1 1
0.6098901592 1.0000000000
10 1 1 1 1
1.3283077039 1.0000000000
11 1 1 1 1
2.8929821697 1.0000000000
12 1 1 1 1
6.3007583333 1.0000000000
13 2 2 1 1
0.2800300000 1.0000000000
14 2 2 1 1
0.6098901592 1.0000000000
15 2 2 1 1
1.3283077038 1.0000000000
16 2 2 1 1
2.8929821698 1.0000000000
17 2 2 1 1
6.3007583332 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 4.8e-02
N RI_aug-SZV-MOLOPT-ae-SR_N_RI_007_s_p_d_f_g_h_i_4_1_0_0_0_0_0_error_4.8e-02
5
1 0 0 1 1
0.5437273984 1.0000000000
2 0 0 1 1
2.1724878395 1.0000000000
3 0 0 1 1
14.6903227432 1.0000000000
4 0 0 1 1
77.0699050271 1.0000000000
5 1 1 1 1
1.0160173719 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 6.3e-03
N RI_aug-SZV-MOLOPT-ae-SR_N_RI_012_s_p_d_f_g_h_i_4_1_1_0_0_0_0_error_6.3e-03
6
1 0 0 1 1
0.4251430139 1.0000000000
2 0 0 1 1
1.6056707754 1.0000000000
3 0 0 1 1
12.9086620539 1.0000000000
4 0 0 1 1
90.6638704283 1.0000000000
5 1 1 1 1
1.1195764353 1.0000000000
6 2 2 1 1
0.7486022890 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.0e-04
N RI_aug-SZV-MOLOPT-ae-SR_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_2.0e-04
9
1 0 0 1 1
0.3660430277 1.0000000000
2 0 0 1 1
1.3385215588 1.0000000000
3 0 0 1 1
12.3219488493 1.0000000000
4 0 0 1 1
109.5981674344 1.0000000000
5 1 1 1 1
0.4387856332 1.0000000000
6 1 1 1 1
1.6380057544 1.0000000000
7 1 1 1 1
21.3475786772 1.0000000000
8 2 2 1 1
0.6717026775 1.0000000000
9 3 3 1 1
0.6870253810 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 7.1e-05
N RI_aug-SZV-MOLOPT-ae-SR_N_RI_036_s_p_d_f_g_h_i_5_3_3_1_0_0_0_error_7.1e-05
12
1 0 0 1 1
0.3621141077 1.0000000000
2 0 0 1 1
0.6316342217 1.0000000000
3 0 0 1 1
2.9789466462 1.0000000000
4 0 0 1 1
18.3420516463 1.0000000000
5 0 0 1 1
106.3089583557 1.0000000000
6 1 1 1 1
0.4996964383 1.0000000000
7 1 1 1 1
0.8833959321 1.0000000000
8 1 1 1 1
4.4077456353 1.0000000000
9 2 2 1 1
0.5886591695 1.0000000000
10 2 2 1 1
1.1539459089 1.0000000000
11 2 2 1 1
5.6918834247 1.0000000000
12 3 3 1 1
0.7366054611 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.9e-05
N RI_aug-SZV-MOLOPT-ae-SR_N_RI_044_s_p_d_f_g_h_i_6_3_3_2_0_0_0_error_1.9e-05
14
1 0 0 1 1
0.3445147905 1.0000000000
2 0 0 1 1
0.6420248017 1.0000000000
3 0 0 1 1
2.0632391955 1.0000000000
4 0 0 1 1
8.1313932030 1.0000000000
5 0 0 1 1
30.2419817321 1.0000000000
6 0 0 1 1
110.1047185739 1.0000000000
7 1 1 1 1
0.4094066903 1.0000000000
8 1 1 1 1
1.2224583728 1.0000000000
9 1 1 1 1
7.7161882548 1.0000000000
10 2 2 1 1
0.6071734694 1.0000000000
11 2 2 1 1
0.8491719256 1.0000000000
12 2 2 1 1
5.8098795328 1.0000000000
13 3 3 1 1
0.6445900563 1.0000000000
14 3 3 1 1
3.9566890997 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.1e-06
N RI_aug-SZV-MOLOPT-ae-SR_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_2.1e-06
16
1 0 0 1 1
0.3609201500 1.0000000000
2 0 0 1 1
0.6750674925 1.0000000000
3 0 0 1 1
1.9647064424 1.0000000000
4 0 0 1 1
8.0564086166 1.0000000000
5 0 0 1 1
30.2136718519 1.0000000000
6 0 0 1 1
110.0722584980 1.0000000000
7 1 1 1 1
0.3549994408 1.0000000000
8 1 1 1 1
0.8651404647 1.0000000000
9 1 1 1 1
2.6452371665 1.0000000000
10 1 1 1 1
7.6635290625 1.0000000000
11 1 1 1 1
22.3167872648 1.0000000000
12 2 2 1 1
0.5242047877 1.0000000000
13 2 2 1 1
1.2479798128 1.0000000000
14 2 2 1 1
5.7524136451 1.0000000000
15 3 3 1 1
0.6048957981 1.0000000000
16 3 3 1 1
3.0267596576 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 7.2e-07
N RI_aug-SZV-MOLOPT-ae-SR_N_RI_057_s_p_d_f_g_h_i_6_5_3_3_0_0_0_error_7.2e-07
17
1 0 0 1 1
0.3688965063 1.0000000000
2 0 0 1 1
0.6864355261 1.0000000000
3 0 0 1 1
1.7492346017 1.0000000000
4 0 0 1 1
7.6818406016 1.0000000000
5 0 0 1 1
30.0601523465 1.0000000000
6 0 0 1 1
109.9791587620 1.0000000000
7 1 1 1 1
0.3271271441 1.0000000000
8 1 1 1 1
0.8572018536 1.0000000000
9 1 1 1 1
2.4027958967 1.0000000000
10 1 1 1 1
7.4796290287 1.0000000000
11 1 1 1 1
22.1585213504 1.0000000000
12 2 2 1 1
0.5227525898 1.0000000000
13 2 2 1 1
1.2831404516 1.0000000000
14 2 2 1 1
5.6078176972 1.0000000000
15 3 3 1 1
0.4856017677 1.0000000000
16 3 3 1 1
1.2361958224 1.0000000000
17 3 3 1 1
3.4529556155 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.5e-07
N RI_aug-SZV-MOLOPT-ae-SR_N_RI_089_s_p_d_f_g_h_i_6_5_4_3_3_0_0_error_1.5e-07
21
1 0 0 1 1
0.2675019515 1.0000000000
2 0 0 1 1
0.4703449573 1.0000000000
3 0 0 1 1
1.6082178401 1.0000000000
4 0 0 1 1
7.3481487307 1.0000000000
5 0 0 1 1
29.8956732465 1.0000000000
6 0 0 1 1
109.7791665284 1.0000000000
7 1 1 1 1
0.3631686075 1.0000000000
8 1 1 1 1
0.6360078805 1.0000000000
9 1 1 1 1
2.5379095518 1.0000000000
10 1 1 1 1
7.3968406671 1.0000000000
11 1 1 1 1
21.5085008916 1.0000000000
12 2 2 1 1
0.3695171557 1.0000000000
13 2 2 1 1
0.5736298636 1.0000000000
14 2 2 1 1
2.0879181319 1.0000000000
15 2 2 1 1
5.3667195220 1.0000000000
16 3 3 1 1
0.5161189175 1.0000000000
17 3 3 1 1
1.1546474805 1.0000000000
18 3 3 1 1
3.6284034545 1.0000000000
19 4 4 1 1
0.8708591071 1.0000000000
20 4 4 1 1
1.2478476380 1.0000000000
21 4 4 1 1
1.8203166985 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 3.1e-02
N RI_aug-SZV-MOLOPT-ae_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_3.1e-02
4
1 0 0 1 1
2.4025167189 1.0000000000
2 0 0 1 1
10.1393897410 1.0000000000
3 1 1 1 1
1.0654461177 1.0000000000
4 2 2 1 1
1.1902917242 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 8.1e-03
N RI_aug-SZV-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_8.1e-03
7
1 0 0 1 1
0.3123515208 1.0000000000
2 0 0 1 1
2.0783921931 1.0000000000
3 0 0 1 1
12.7176806031 1.0000000000
4 0 0 1 1
112.3647860911 1.0000000000
5 1 1 1 1
1.3806301601 1.0000000000
6 2 2 1 1
1.2416012478 1.0000000000
7 3 3 1 1
0.3604259987 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.3e-03
N RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_5_1_1_0_0_0_error_2.3e-03
13
1 0 0 1 1
0.6068131992 1.0000000000
2 0 0 1 1
1.8169899039 1.0000000000
3 0 0 1 1
4.6697401244 1.0000000000
4 0 0 1 1
12.9893976075 1.0000000000
5 0 0 1 1
38.7614688329 1.0000000000
6 0 0 1 1
117.7766022022 1.0000000000
7 1 1 1 1
0.5590053395 1.0000000000
8 1 1 1 1
1.4848299634 1.0000000000
9 1 1 1 1
2.9877077459 1.0000000000
10 1 1 1 1
7.6017060524 1.0000000000
11 1 1 1 1
18.4576390056 1.0000000000
12 2 2 1 1
1.1047660361 1.0000000000
13 3 3 1 1
1.3064331409 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.2e-05
N RI_aug-SZV-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_2.2e-05
15
1 0 0 1 1
0.3488811538 1.0000000000
2 0 0 1 1
0.6042559787 1.0000000000
3 0 0 1 1
2.1157261719 1.0000000000
4 0 0 1 1
8.1019254260 1.0000000000
5 0 0 1 1
30.2074743369 1.0000000000
6 0 0 1 1
110.0780369594 1.0000000000
7 1 1 1 1
0.5654298479 1.0000000000
8 1 1 1 1
0.7363840894 1.0000000000
9 1 1 1 1
3.0579978651 1.0000000000
10 1 1 1 1
9.2426226532 1.0000000000
11 1 1 1 1
24.5338249142 1.0000000000
12 2 2 1 1
0.4158986316 1.0000000000
13 2 2 1 1
1.3391448868 1.0000000000
14 2 2 1 1
5.4063406985 1.0000000000
15 3 3 1 1
1.1978072490 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.0e-06
N RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_5_3_2_0_0_0_error_1.0e-06
17
1 0 0 1 1
0.3088837141 1.0000000000
2 0 0 1 1
0.8451552729 1.0000000000
3 0 0 1 1
2.2780884387 1.0000000000
4 0 0 1 1
6.0084815626 1.0000000000
5 0 0 1 1
15.8311841775 1.0000000000
6 0 0 1 1
41.7231306103 1.0000000000
7 0 0 1 1
109.9691726721 1.0000000000
8 1 1 1 1
0.3723247906 1.0000000000
9 1 1 1 1
1.0776389078 1.0000000000
10 1 1 1 1
2.2377500420 1.0000000000
11 1 1 1 1
7.6271649510 1.0000000000
12 1 1 1 1
22.3169370744 1.0000000000
13 2 2 1 1
0.4011466484 1.0000000000
14 2 2 1 1
1.4414205470 1.0000000000
15 2 2 1 1
5.2803588958 1.0000000000
16 3 3 1 1
0.6136024375 1.0000000000
17 3 3 1 1
2.0818956914 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 4.2e-07
N RI_aug-SZV-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_4.2e-07
18
1 0 0 1 1
0.2277209174 1.0000000000
2 0 0 1 1
0.5103911276 1.0000000000
3 0 0 1 1
1.4510222987 1.0000000000
4 0 0 1 1
4.3632375872 1.0000000000
5 0 0 1 1
12.8636150561 1.0000000000
6 0 0 1 1
37.6680087660 1.0000000000
7 0 0 1 1
110.2424673764 1.0000000000
8 1 1 1 1
0.3789487168 1.0000000000
9 1 1 1 1
0.7196498314 1.0000000000
10 1 1 1 1
1.7775728371 1.0000000000
11 1 1 1 1
4.0940538071 1.0000000000
12 1 1 1 1
9.5256112941 1.0000000000
13 1 1 1 1
22.3494126721 1.0000000000
14 2 2 1 1
0.3918460188 1.0000000000
15 2 2 1 1
1.4556190928 1.0000000000
16 2 2 1 1
5.5566406406 1.0000000000
17 3 3 1 1
0.4833168716 1.0000000000
18 3 3 1 1
2.3342893057 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.8e-07
N RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_1.8e-07
19
1 0 0 1 1
0.2753240332 1.0000000000
2 0 0 1 1
0.5115753207 1.0000000000
3 0 0 1 1
1.3677725119 1.0000000000
4 0 0 1 1
4.2732665299 1.0000000000
5 0 0 1 1
12.8010392407 1.0000000000
6 0 0 1 1
37.6019151399 1.0000000000
7 0 0 1 1
110.1717860237 1.0000000000
8 1 1 1 1
0.3395473111 1.0000000000
9 1 1 1 1
0.7134050198 1.0000000000
10 1 1 1 1
1.8068039487 1.0000000000
11 1 1 1 1
4.1276003657 1.0000000000
12 1 1 1 1
9.5354362670 1.0000000000
13 1 1 1 1
22.3569050202 1.0000000000
14 2 2 1 1
0.2921677417 1.0000000000
15 2 2 1 1
0.8075758781 1.0000000000
16 2 2 1 1
1.8162896360 1.0000000000
17 2 2 1 1
5.5901829862 1.0000000000
18 3 3 1 1
0.4722452116 1.0000000000
19 3 3 1 1
2.1764165813 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 8.3e-08
N RI_aug-SZV-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_8.3e-08
22
1 0 0 1 1
0.3186179571 1.0000000000
2 0 0 1 1
0.5028126171 1.0000000000
3 0 0 1 1
1.2423577644 1.0000000000
4 0 0 1 1
4.1017620715 1.0000000000
5 0 0 1 1
12.6710382019 1.0000000000
6 0 0 1 1
37.4653215997 1.0000000000
7 0 0 1 1
110.0278252602 1.0000000000
8 1 1 1 1
0.3210979812 1.0000000000
9 1 1 1 1
0.7348489340 1.0000000000
10 1 1 1 1
1.5858313586 1.0000000000
11 1 1 1 1
3.9642515363 1.0000000000
12 1 1 1 1
9.4534847432 1.0000000000
13 1 1 1 1
22.2755383613 1.0000000000
14 2 2 1 1
0.2913617779 1.0000000000
15 2 2 1 1
0.5939891009 1.0000000000
16 2 2 1 1
1.2537663619 1.0000000000
17 2 2 1 1
2.7053808523 1.0000000000
18 2 2 1 1
5.7108379444 1.0000000000
19 3 3 1 1
0.4874594538 1.0000000000
20 3 3 1 1
0.9083545544 1.0000000000
21 3 3 1 1
1.7615934583 1.0000000000
22 3 3 1 1
3.3878483320 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 3.2e-02
N RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_3.2e-02
7
1 0 0 1 1
0.6337220731 1.0000000000
2 0 0 1 1
2.4888620430 1.0000000000
3 0 0 1 1
12.3865456560 1.0000000000
4 0 0 1 1
55.4796719544 1.0000000000
5 1 1 1 1
1.2753414258 1.0000000000
6 2 2 1 1
1.4694326146 1.0000000000
7 3 3 1 1
0.7435641067 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 3.5e-03
N RI_aug-DZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_4_2_1_1_1_0_0_error_3.5e-03
9
1 0 0 1 1
0.7877470285 1.0000000000
2 0 0 1 1
4.3096680771 1.0000000000
3 0 0 1 1
21.1630494118 1.0000000000
4 0 0 1 1
110.2266600801 1.0000000000
5 1 1 1 1
0.5881620256 1.0000000000
6 1 1 1 1
1.8301870067 1.0000000000
7 2 2 1 1
1.4920485746 1.0000000000
8 3 3 1 1
1.0521726037 1.0000000000
9 4 4 1 1
0.5883866521 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 9.2e-04
N RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_4_3_2_1_1_0_0_error_9.2e-04
11
1 0 0 1 1
0.3622921711 1.0000000000
2 0 0 1 1
1.6354963080 1.0000000000
3 0 0 1 1
12.7639396884 1.0000000000
4 0 0 1 1
110.0543942234 1.0000000000
5 1 1 1 1
0.6270722879 1.0000000000
6 1 1 1 1
1.2592391587 1.0000000000
7 1 1 1 1
13.7353229588 1.0000000000
8 2 2 1 1
0.7610417678 1.0000000000
9 2 2 1 1
3.4659460097 1.0000000000
10 3 3 1 1
1.0837990674 1.0000000000
11 4 4 1 1
1.2910568292 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 3.5e-04
N RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_5_4_2_1_1_0_0_error_3.5e-04
13
1 0 0 1 1
0.4774483883 1.0000000000
2 0 0 1 1
0.6726701107 1.0000000000
3 0 0 1 1
3.0353306658 1.0000000000
4 0 0 1 1
19.0591267866 1.0000000000
5 0 0 1 1
106.5417909780 1.0000000000
6 1 1 1 1
0.5703561299 1.0000000000
7 1 1 1 1
0.8919639409 1.0000000000
8 1 1 1 1
3.7010959109 1.0000000000
9 1 1 1 1
20.2508685042 1.0000000000
10 2 2 1 1
0.6789894290 1.0000000000
11 2 2 1 1
1.9698804689 1.0000000000
12 3 3 1 1
1.1840866026 1.0000000000
13 4 4 1 1
1.0016913950 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.6e-04
N RI_aug-DZVP-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_6_4_2_2_1_0_0_error_1.6e-04
15
1 0 0 1 1
0.2783158228 1.0000000000
2 0 0 1 1
0.5380358598 1.0000000000
3 0 0 1 1
1.9069630279 1.0000000000
4 0 0 1 1
7.7414876947 1.0000000000
5 0 0 1 1
29.8474403973 1.0000000000
6 0 0 1 1
109.7910431053 1.0000000000
7 1 1 1 1
0.4301472803 1.0000000000
8 1 1 1 1
1.0306055181 1.0000000000
9 1 1 1 1
3.6880896959 1.0000000000
10 1 1 1 1
20.0563452996 1.0000000000
11 2 2 1 1
0.6598514115 1.0000000000
12 2 2 1 1
2.0088880905 1.0000000000
13 3 3 1 1
0.7357954895 1.0000000000
14 3 3 1 1
2.2996062252 1.0000000000
15 4 4 1 1
1.0178044814 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 6.6e-05
N RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_6_4_3_2_1_0_0_error_6.6e-05
16
1 0 0 1 1
0.2949790136 1.0000000000
2 0 0 1 1
0.7785123249 1.0000000000
3 0 0 1 1
2.4077176827 1.0000000000
4 0 0 1 1
9.0620020650 1.0000000000
5 0 0 1 1
31.5803321143 1.0000000000
6 0 0 1 1
106.8824935458 1.0000000000
7 1 1 1 1
0.3687995805 1.0000000000
8 1 1 1 1
1.0537994381 1.0000000000
9 1 1 1 1
3.9145827044 1.0000000000
10 1 1 1 1
20.6989803748 1.0000000000
11 2 2 1 1
0.6759504032 1.0000000000
12 2 2 1 1
0.8727684173 1.0000000000
13 2 2 1 1
4.4005869673 1.0000000000
14 3 3 1 1
0.6555017925 1.0000000000
15 3 3 1 1
2.3267347662 1.0000000000
16 4 4 1 1
1.3371746309 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 3.1e-05
N RI_aug-DZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_3.1e-05
17
1 0 0 1 1
0.3731029845 1.0000000000
2 0 0 1 1
0.6182386393 1.0000000000
3 0 0 1 1
1.7456897436 1.0000000000
4 0 0 1 1
7.6216208759 1.0000000000
5 0 0 1 1
29.8143933546 1.0000000000
6 0 0 1 1
109.6768583408 1.0000000000
7 1 1 1 1
0.4150661970 1.0000000000
8 1 1 1 1
0.8817944706 1.0000000000
9 1 1 1 1
2.3611160326 1.0000000000
10 1 1 1 1
7.5219437369 1.0000000000
11 1 1 1 1
22.2129391888 1.0000000000
12 2 2 1 1
0.4415892513 1.0000000000
13 2 2 1 1
0.8846731406 1.0000000000
14 2 2 1 1
3.5662320160 1.0000000000
15 3 3 1 1
0.6643853280 1.0000000000
16 3 3 1 1
2.2087835061 1.0000000000
17 4 4 1 1
1.3020622384 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 9.7e-06
N RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_6_5_3_2_2_0_0_error_9.7e-06
18
1 0 0 1 1
0.3165071392 1.0000000000
2 0 0 1 1
0.5722077846 1.0000000000
3 0 0 1 1
1.9269510127 1.0000000000
4 0 0 1 1
8.0366046608 1.0000000000
5 0 0 1 1
30.1911144685 1.0000000000
6 0 0 1 1
110.0609699459 1.0000000000
7 1 1 1 1
0.4113721857 1.0000000000
8 1 1 1 1
0.8092548399 1.0000000000
9 1 1 1 1
2.3286469947 1.0000000000
10 1 1 1 1
7.4771990298 1.0000000000
11 1 1 1 1
22.1708647917 1.0000000000
12 2 2 1 1
0.4203212864 1.0000000000
13 2 2 1 1
1.1167275027 1.0000000000
14 2 2 1 1
4.3524086894 1.0000000000
15 3 3 1 1
0.6299936330 1.0000000000
16 3 3 1 1
1.8607856226 1.0000000000
17 4 4 1 1
0.6927359127 1.0000000000
18 4 4 1 1
2.0011179420 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.7e-06
N RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_6_5_3_3_2_0_0_error_2.7e-06
19
1 0 0 1 1
0.3591070304 1.0000000000
2 0 0 1 1
0.4865362652 1.0000000000
3 0 0 1 1
1.6390402008 1.0000000000
4 0 0 1 1
7.4039596248 1.0000000000
5 0 0 1 1
29.7670457880 1.0000000000
6 0 0 1 1
109.6997495514 1.0000000000
7 1 1 1 1
0.3330383247 1.0000000000
8 1 1 1 1
0.6673384734 1.0000000000
9 1 1 1 1
1.9388704770 1.0000000000
10 1 1 1 1
7.3869934120 1.0000000000
11 1 1 1 1
22.1219138829 1.0000000000
12 2 2 1 1
0.4024394074 1.0000000000
13 2 2 1 1
1.0222849475 1.0000000000
14 2 2 1 1
3.9142917190 1.0000000000
15 3 3 1 1
0.4551067667 1.0000000000
16 3 3 1 1
1.1609166338 1.0000000000
17 3 3 1 1
3.5132663400 1.0000000000
18 4 4 1 1
0.7345268692 1.0000000000
19 4 4 1 1
2.1367859617 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.0e-06
N RI_aug-DZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_1.0e-06
22
1 0 0 1 1
0.2574076637 1.0000000000
2 0 0 1 1
0.4892081731 1.0000000000
3 0 0 1 1
1.4417080922 1.0000000000
4 0 0 1 1
4.3835750306 1.0000000000
5 0 0 1 1
12.8638910455 1.0000000000
6 0 0 1 1
37.6677667429 1.0000000000
7 0 0 1 1
110.2464508427 1.0000000000
8 1 1 1 1
0.3108518762 1.0000000000
9 1 1 1 1
0.6845875897 1.0000000000
10 1 1 1 1
1.6165364374 1.0000000000
11 1 1 1 1
4.0519934629 1.0000000000
12 1 1 1 1
9.4916608581 1.0000000000
13 1 1 1 1
22.3005490078 1.0000000000
14 2 2 1 1
0.3790654550 1.0000000000
15 2 2 1 1
0.7605758519 1.0000000000
16 2 2 1 1
2.0093282334 1.0000000000
17 2 2 1 1
5.6769357170 1.0000000000
18 3 3 1 1
0.3979363188 1.0000000000
19 3 3 1 1
1.1072873728 1.0000000000
20 3 3 1 1
3.4991425994 1.0000000000
21 4 4 1 1
0.6213987031 1.0000000000
22 4 4 1 1
1.9847660952 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 4.5e-07
N RI_aug-DZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_6_5_3_2_0_0_error_4.5e-07
23
1 0 0 1 1
0.3083642064 1.0000000000
2 0 0 1 1
0.3900660902 1.0000000000
3 0 0 1 1
1.2436811890 1.0000000000
4 0 0 1 1
4.3013257694 1.0000000000
5 0 0 1 1
12.7630999338 1.0000000000
6 0 0 1 1
37.5545867769 1.0000000000
7 0 0 1 1
110.1289417591 1.0000000000
8 1 1 1 1
0.2128335779 1.0000000000
9 1 1 1 1
0.5818385031 1.0000000000
10 1 1 1 1
1.3798997486 1.0000000000
11 1 1 1 1
4.0919828016 1.0000000000
12 1 1 1 1
9.4598902733 1.0000000000
13 1 1 1 1
22.2212108205 1.0000000000
14 2 2 1 1
0.3642814436 1.0000000000
15 2 2 1 1
0.5517099031 1.0000000000
16 2 2 1 1
1.3602076208 1.0000000000
17 2 2 1 1
2.6468895760 1.0000000000
18 2 2 1 1
5.6370529153 1.0000000000
19 3 3 1 1
0.3686439491 1.0000000000
20 3 3 1 1
0.9856099335 1.0000000000
21 3 3 1 1
3.2061667961 1.0000000000
22 4 4 1 1
0.7076664781 1.0000000000
23 4 4 1 1
2.1268127230 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.7e-02
N RI_aug-TZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_2.7e-02
9
1 0 0 1 1
0.7070649969 1.0000000000
2 0 0 1 1
2.4870463204 1.0000000000
3 0 0 1 1
8.8030349073 1.0000000000
4 0 0 1 1
31.1296524299 1.0000000000
5 0 0 1 1
109.9178056587 1.0000000000
6 1 1 1 1
0.9555337177 1.0000000000
7 1 1 1 1
2.6400378242 1.0000000000
8 2 2 1 1
1.3655786143 1.0000000000
9 3 3 1 1
1.5383058496 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 8.5e-03
N RI_aug-TZVP-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_5_3_2_1_0_0_0_error_8.5e-03
11
1 0 0 1 1
0.4057855853 1.0000000000
2 0 0 1 1
1.4398864411 1.0000000000
3 0 0 1 1
6.5997817510 1.0000000000
4 0 0 1 1
27.1507516417 1.0000000000
5 0 0 1 1
106.4489147975 1.0000000000
6 1 1 1 1
0.8417204108 1.0000000000
7 1 1 1 1
1.6327959469 1.0000000000
8 1 1 1 1
15.3521371962 1.0000000000
9 2 2 1 1
0.7844464596 1.0000000000
10 2 2 1 1
2.6654025015 1.0000000000
11 3 3 1 1
1.4085901621 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 3.7e-03
N RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_4_2_1_1_0_0_error_3.7e-03
14
1 0 0 1 1
0.0924350268 1.0000000000
2 0 0 1 1
0.4592275360 1.0000000000
3 0 0 1 1
1.6094381114 1.0000000000
4 0 0 1 1
6.5036335540 1.0000000000
5 0 0 1 1
26.5949090230 1.0000000000
6 0 0 1 1
110.2886429351 1.0000000000
7 1 1 1 1
0.1739697641 1.0000000000
8 1 1 1 1
0.9146694686 1.0000000000
9 1 1 1 1
3.7351940695 1.0000000000
10 1 1 1 1
19.2314816948 1.0000000000
11 2 2 1 1
0.8998948907 1.0000000000
12 2 2 1 1
2.5401226409 1.0000000000
13 3 3 1 1
1.3678504526 1.0000000000
14 4 4 1 1
1.2961955778 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 9.9e-04
N RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_5_2_2_1_0_0_error_9.9e-04
17
1 0 0 1 1
0.0852784338 1.0000000000
2 0 0 1 1
0.2808132756 1.0000000000
3 0 0 1 1
0.9246862034 1.0000000000
4 0 0 1 1
3.0448872113 1.0000000000
5 0 0 1 1
10.0264828544 1.0000000000
6 0 0 1 1
33.0161469742 1.0000000000
7 0 0 1 1
108.7186374273 1.0000000000
8 1 1 1 1
0.3940530906 1.0000000000
9 1 1 1 1
0.8320492104 1.0000000000
10 1 1 1 1
2.3739404395 1.0000000000
11 1 1 1 1
7.3095279425 1.0000000000
12 1 1 1 1
22.0012271745 1.0000000000
13 2 2 1 1
0.8400542597 1.0000000000
14 2 2 1 1
2.1806038242 1.0000000000
15 3 3 1 1
0.8160494412 1.0000000000
16 3 3 1 1
2.1564793118 1.0000000000
17 4 4 1 1
1.2498956211 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 4.1e-04
N RI_aug-TZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_4.1e-04
18
1 0 0 1 1
0.0945528768 1.0000000000
2 0 0 1 1
0.3898031726 1.0000000000
3 0 0 1 1
0.7715285110 1.0000000000
4 0 0 1 1
1.8552453133 1.0000000000
5 0 0 1 1
7.9851050827 1.0000000000
6 0 0 1 1
31.1361135343 1.0000000000
7 0 0 1 1
107.6422077786 1.0000000000
8 1 1 1 1
0.4549916422 1.0000000000
9 1 1 1 1
0.8258554462 1.0000000000
10 1 1 1 1
2.0690369781 1.0000000000
11 1 1 1 1
6.4662857949 1.0000000000
12 1 1 1 1
21.6870091007 1.0000000000
13 2 2 1 1
0.8763019852 1.0000000000
14 2 2 1 1
1.5324257723 1.0000000000
15 2 2 1 1
5.8658674369 1.0000000000
16 3 3 1 1
0.7915999005 1.0000000000
17 3 3 1 1
2.1163298544 1.0000000000
18 4 4 1 1
1.3981231793 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 1.7e-04
N RI_aug-TZVP-MOLOPT-ae_N_RI_069_s_p_d_f_g_h_i_7_5_3_2_2_0_0_error_1.7e-04
19
1 0 0 1 1
0.1332741678 1.0000000000
2 0 0 1 1
0.5181526975 1.0000000000
3 0 0 1 1
1.4260137566 1.0000000000
4 0 0 1 1
4.0648526631 1.0000000000
5 0 0 1 1
12.4409216140 1.0000000000
6 0 0 1 1
37.2869696332 1.0000000000
7 0 0 1 1
109.8484862881 1.0000000000
8 1 1 1 1
0.4883680646 1.0000000000
9 1 1 1 1
0.8562735637 1.0000000000
10 1 1 1 1
2.0953335829 1.0000000000
11 1 1 1 1
6.5933514752 1.0000000000
12 1 1 1 1
21.6928426703 1.0000000000
13 2 2 1 1
0.6169412394 1.0000000000
14 2 2 1 1
1.5462647407 1.0000000000
15 2 2 1 1
5.2089416276 1.0000000000
16 3 3 1 1
0.7398619034 1.0000000000
17 3 3 1 1
2.0925417807 1.0000000000
18 4 4 1 1
0.7897770203 1.0000000000
19 4 4 1 1
2.1464845239 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 5.6e-05
N RI_aug-TZVP-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_5_4_3_2_0_0_error_5.6e-05
21
1 0 0 1 1
0.3469575256 1.0000000000
2 0 0 1 1
0.7473109451 1.0000000000
3 0 0 1 1
1.5419936569 1.0000000000
4 0 0 1 1
4.7007373314 1.0000000000
5 0 0 1 1
14.4861957686 1.0000000000
6 0 0 1 1
40.2789959300 1.0000000000
7 0 0 1 1
107.8356854843 1.0000000000
8 1 1 1 1
0.4144342736 1.0000000000
9 1 1 1 1
1.0518806976 1.0000000000
10 1 1 1 1
3.0486123225 1.0000000000
11 1 1 1 1
8.4729723782 1.0000000000
12 1 1 1 1
21.8813835703 1.0000000000
13 2 2 1 1
0.4647633969 1.0000000000
14 2 2 1 1
1.2059616719 1.0000000000
15 2 2 1 1
2.4503051774 1.0000000000
16 2 2 1 1
7.9115907838 1.0000000000
17 3 3 1 1
0.6462244198 1.0000000000
18 3 3 1 1
1.0970712765 1.0000000000
19 3 3 1 1
2.6318605023 1.0000000000
20 4 4 1 1
0.5531996972 1.0000000000
21 4 4 1 1
1.7472098325 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 2.2e-05
N RI_aug-TZVP-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_4_4_2_0_0_error_2.2e-05
23
1 0 0 1 1
0.3770570899 1.0000000000
2 0 0 1 1
0.6686337432 1.0000000000
3 0 0 1 1
1.3930870484 1.0000000000
4 0 0 1 1
3.9581892855 1.0000000000
5 0 0 1 1
12.7894666410 1.0000000000
6 0 0 1 1
38.6001088391 1.0000000000
7 0 0 1 1
106.0590189442 1.0000000000
8 1 1 1 1
0.4167133074 1.0000000000
9 1 1 1 1
0.5937659471 1.0000000000
10 1 1 1 1
1.3271485005 1.0000000000
11 1 1 1 1
4.7745899253 1.0000000000
12 1 1 1 1
11.7789577401 1.0000000000
13 1 1 1 1
26.7762533284 1.0000000000
14 2 2 1 1
0.4400150321 1.0000000000
15 2 2 1 1
1.2918844349 1.0000000000
16 2 2 1 1
2.4341041256 1.0000000000
17 2 2 1 1
8.2315998859 1.0000000000
18 3 3 1 1
0.6728288981 1.0000000000
19 3 3 1 1
1.4851576806 1.0000000000
20 3 3 1 1
2.9834231895 1.0000000000
21 3 3 1 1
5.4903987655 1.0000000000
22 4 4 1 1
0.5959617108 1.0000000000
23 4 4 1 1
1.7777103546 1.0000000000
# RI basis set for N (all-electron) relative DI metric: 8.5e-06
N RI_aug-TZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_6_4_2_1_0_error_8.5e-06
26
1 0 0 1 1
0.2605142943 1.0000000000
2 0 0 1 1
0.7149120125 1.0000000000
3 0 0 1 1
1.3961230988 1.0000000000
4 0 0 1 1
3.9672157097 1.0000000000
5 0 0 1 1
12.8697912194 1.0000000000
6 0 0 1 1
38.6407000547 1.0000000000
7 0 0 1 1
105.4476503492 1.0000000000
8 1 1 1 1
0.3390610860 1.0000000000
9 1 1 1 1
0.5956399603 1.0000000000
10 1 1 1 1
1.3422832655 1.0000000000
11 1 1 1 1
4.7828796428 1.0000000000
12 1 1 1 1
11.7922770223 1.0000000000
13 1 1 1 1
26.9370630580 1.0000000000
14 2 2 1 1
0.2923766308 1.0000000000
15 2 2 1 1
0.5120536666 1.0000000000
16 2 2 1 1
0.9377737869 1.0000000000
17 2 2 1 1
1.7202621079 1.0000000000
18 2 2 1 1
3.2057022068 1.0000000000
19 2 2 1 1
6.1345170815 1.0000000000
20 3 3 1 1
0.5440126172 1.0000000000
21 3 3 1 1
1.2540791602 1.0000000000
22 3 3 1 1
3.0132268005 1.0000000000
23 3 3 1 1
6.8259402449 1.0000000000
24 4 4 1 1
0.4909597453 1.0000000000
25 4 4 1 1
1.9088292110 1.0000000000
26 5 5 1 1
0.7186725960 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 4.8e-02
O RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_4.8e-02
4
1 0 0 1 1
0.3719261910 1.0000000000
2 0 0 1 1
2.6236134276 1.0000000000
3 0 0 1 1
18.5072230466 1.0000000000
4 1 1 1 1
4.1669751099 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 2.1e-02
O RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_2.1e-02
5
1 0 0 1 1
0.8812418072 1.0000000000
2 0 0 1 1
1.4422904706 1.0000000000
3 0 0 1 1
2.3571863493 1.0000000000
4 1 1 1 1
4.1269642016 1.0000000000
5 2 2 1 1
4.3887768259 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 2.9e-03
O RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.9e-03
8
1 0 0 1 1
0.6659998294 1.0000000000
2 0 0 1 1
1.3219302659 1.0000000000
3 0 0 1 1
2.6328639073 1.0000000000
4 0 0 1 1
5.0890329646 1.0000000000
5 1 1 1 1
0.6345784442 1.0000000000
6 1 1 1 1
1.5667625222 1.0000000000
7 1 1 1 1
3.5512182878 1.0000000000
8 2 2 1 1
4.2358612041 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.0e-06
O RI_aug-SZV-MOLOPT-ae-mini_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_1.0e-06
10
1 0 0 1 1
0.3574894797 1.0000000000
2 0 0 1 1
1.0547527060 1.0000000000
3 0 0 1 1
3.0261945404 1.0000000000
4 0 0 1 1
8.3616103574 1.0000000000
5 1 1 1 1
0.4097478642 1.0000000000
6 1 1 1 1
1.7670212628 1.0000000000
7 1 1 1 1
8.4220623483 1.0000000000
8 2 2 1 1
0.4438790730 1.0000000000
9 2 2 1 1
2.1388351180 1.0000000000
10 2 2 1 1
8.0124493305 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 4.0e-07
O RI_aug-SZV-MOLOPT-ae-mini_N_RI_032_s_p_d_f_g_h_i_5_4_3_0_0_0_0_error_4.0e-07
12
1 0 0 1 1
0.3700943529 1.0000000000
2 0 0 1 1
0.8375589417 1.0000000000
3 0 0 1 1
1.8493352639 1.0000000000
4 0 0 1 1
3.9333459393 1.0000000000
5 0 0 1 1
8.3743933127 1.0000000000
6 1 1 1 1
0.4452795331 1.0000000000
7 1 1 1 1
1.1847536603 1.0000000000
8 1 1 1 1
2.8358057607 1.0000000000
9 1 1 1 1
8.2256142484 1.0000000000
10 2 2 1 1
0.4501358715 1.0000000000
11 2 2 1 1
2.1142769217 1.0000000000
12 2 2 1 1
8.1013192044 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.6e-07
O RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.6e-07
16
1 0 0 1 1
0.4062275001 1.0000000000
2 0 0 1 1
0.6728566542 1.0000000000
3 0 0 1 1
1.1144889920 1.0000000000
4 0 0 1 1
1.8459886005 1.0000000000
5 0 0 1 1
3.0576111004 1.0000000000
6 0 0 1 1
5.0644872013 1.0000000000
7 0 0 1 1
8.3885850001 1.0000000000
8 1 1 1 1
0.4062274998 1.0000000000
9 1 1 1 1
0.8659626632 1.0000000000
10 1 1 1 1
1.8459886004 1.0000000000
11 1 1 1 1
3.9351279882 1.0000000000
12 1 1 1 1
8.3885850000 1.0000000000
13 2 2 1 1
0.4062275055 1.0000000000
14 2 2 1 1
1.1144889998 1.0000000000
15 2 2 1 1
3.0576110487 1.0000000000
16 2 2 1 1
8.3885850057 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 2.2e-08
O RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_2.2e-08
17
1 0 0 1 1
0.4062274998 1.0000000000
2 0 0 1 1
0.6728566540 1.0000000000
3 0 0 1 1
1.1144889919 1.0000000000
4 0 0 1 1
1.8459886004 1.0000000000
5 0 0 1 1
3.0576111002 1.0000000000
6 0 0 1 1
5.0644872012 1.0000000000
7 0 0 1 1
8.3885849998 1.0000000000
8 1 1 1 1
0.4062274998 1.0000000000
9 1 1 1 1
0.8659626632 1.0000000000
10 1 1 1 1
1.8459886004 1.0000000000
11 1 1 1 1
3.9351279882 1.0000000000
12 1 1 1 1
8.3885850000 1.0000000000
13 2 2 1 1
0.4062275000 1.0000000000
14 2 2 1 1
0.8659626633 1.0000000000
15 2 2 1 1
1.8459886004 1.0000000000
16 2 2 1 1
3.9351279883 1.0000000000
17 2 2 1 1
8.3885850000 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.6e-02
O RI_aug-SZV-MOLOPT-ae-SR_N_RI_027_s_p_d_f_g_h_i_5_4_2_0_0_0_0_error_1.6e-02
11
1 0 0 1 1
0.6794244566 1.0000000000
2 0 0 1 1
1.3780269227 1.0000000000
3 0 0 1 1
6.1706388639 1.0000000000
4 0 0 1 1
32.0807873840 1.0000000000
5 0 0 1 1
162.6313565592 1.0000000000
6 1 1 1 1
0.2508902204 1.0000000000
7 1 1 1 1
1.4861431123 1.0000000000
8 1 1 1 1
2.7286584268 1.0000000000
9 1 1 1 1
17.6530861099 1.0000000000
10 2 2 1 1
0.8566924904 1.0000000000
11 2 2 1 1
3.2736961110 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.1e-05
O RI_aug-SZV-MOLOPT-ae-SR_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_1.1e-05
12
1 0 0 1 1
0.4376260301 1.0000000000
2 0 0 1 1
1.9300281813 1.0000000000
3 0 0 1 1
7.0454620304 1.0000000000
4 0 0 1 1
33.5362950213 1.0000000000
5 0 0 1 1
158.8449858148 1.0000000000
6 1 1 1 1
0.9004932103 1.0000000000
7 1 1 1 1
1.5807262262 1.0000000000
8 1 1 1 1
7.1872339896 1.0000000000
9 1 1 1 1
31.2066130295 1.0000000000
10 2 2 1 1
0.8339111160 1.0000000000
11 2 2 1 1
3.3555768922 1.0000000000
12 3 3 1 1
1.2293462032 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 5.0e-06
O RI_aug-SZV-MOLOPT-ae-SR_N_RI_041_s_p_d_f_g_h_i_5_4_2_2_0_0_0_error_5.0e-06
13
1 0 0 1 1
0.5785871820 1.0000000000
2 0 0 1 1
1.3622440795 1.0000000000
3 0 0 1 1
6.3008887582 1.0000000000
4 0 0 1 1
32.0408502092 1.0000000000
5 0 0 1 1
162.6018184732 1.0000000000
6 1 1 1 1
0.7802953711 1.0000000000
7 1 1 1 1
1.6469785097 1.0000000000
8 1 1 1 1
7.2427109901 1.0000000000
9 1 1 1 1
31.2205637814 1.0000000000
10 2 2 1 1
0.8337057372 1.0000000000
11 2 2 1 1
3.3521208276 1.0000000000
12 3 3 1 1
1.1090668614 1.0000000000
13 3 3 1 1
4.5931523228 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 7.1e-07
O RI_aug-SZV-MOLOPT-ae-SR_N_RI_046_s_p_d_f_g_h_i_5_4_3_2_0_0_0_error_7.1e-07
14
1 0 0 1 1
0.6465893825 1.0000000000
2 0 0 1 1
1.4297429381 1.0000000000
3 0 0 1 1
6.1570352512 1.0000000000
4 0 0 1 1
31.7515425922 1.0000000000
5 0 0 1 1
162.3112135095 1.0000000000
6 1 1 1 1
0.7341687692 1.0000000000
7 1 1 1 1
1.8877449030 1.0000000000
8 1 1 1 1
9.3319205529 1.0000000000
9 1 1 1 1
30.7546461742 1.0000000000
10 2 2 1 1
0.8147505556 1.0000000000
11 2 2 1 1
2.2028261421 1.0000000000
12 2 2 1 1
6.0546644380 1.0000000000
13 3 3 1 1
1.0770858186 1.0000000000
14 3 3 1 1
4.4458153677 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 2.9e-07
O RI_aug-SZV-MOLOPT-ae-SR_N_RI_051_s_p_d_f_g_h_i_5_4_4_2_0_0_0_error_2.9e-07
15
1 0 0 1 1
0.6170576381 1.0000000000
2 0 0 1 1
1.5127793672 1.0000000000
3 0 0 1 1
5.9038087679 1.0000000000
4 0 0 1 1
30.5897084192 1.0000000000
5 0 0 1 1
161.2105867258 1.0000000000
6 1 1 1 1
0.7351513529 1.0000000000
7 1 1 1 1
1.6400468624 1.0000000000
8 1 1 1 1
5.2960944591 1.0000000000
9 1 1 1 1
25.8341939083 1.0000000000
10 2 2 1 1
0.3285273147 1.0000000000
11 2 2 1 1
0.9010950370 1.0000000000
12 2 2 1 1
2.2646722769 1.0000000000
13 2 2 1 1
7.5730990765 1.0000000000
14 3 3 1 1
0.9905683564 1.0000000000
15 3 3 1 1
2.9203372730 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.4e-07
O RI_aug-SZV-MOLOPT-ae-SR_N_RI_063_s_p_d_f_g_h_i_7_5_4_3_0_0_0_error_1.4e-07
19
1 0 0 1 1
0.3807351972 1.0000000000
2 0 0 1 1
0.6262456551 1.0000000000
3 0 0 1 1
1.6760360144 1.0000000000
4 0 0 1 1
6.1110248502 1.0000000000
5 0 0 1 1
18.7152735005 1.0000000000
6 0 0 1 1
55.1658197624 1.0000000000
7 0 0 1 1
162.6509934533 1.0000000000
8 1 1 1 1
0.7212143374 1.0000000000
9 1 1 1 1
1.5418543920 1.0000000000
10 1 1 1 1
4.9203531182 1.0000000000
11 1 1 1 1
12.3471430129 1.0000000000
12 1 1 1 1
31.1234273958 1.0000000000
13 2 2 1 1
0.3036782006 1.0000000000
14 2 2 1 1
0.8898516607 1.0000000000
15 2 2 1 1
2.5231684828 1.0000000000
16 2 2 1 1
7.3232352815 1.0000000000
17 3 3 1 1
0.7762163234 1.0000000000
18 3 3 1 1
1.5996298128 1.0000000000
19 3 3 1 1
4.6605621473 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 5.0e-08
O RI_aug-SZV-MOLOPT-ae-SR_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_5.0e-08
22
1 0 0 1 1
0.3654518487 1.0000000000
2 0 0 1 1
0.6418179890 1.0000000000
3 0 0 1 1
1.7962770493 1.0000000000
4 0 0 1 1
6.2244019185 1.0000000000
5 0 0 1 1
18.7761307143 1.0000000000
6 0 0 1 1
55.2613658429 1.0000000000
7 0 0 1 1
162.7541788074 1.0000000000
8 1 1 1 1
0.5121080385 1.0000000000
9 1 1 1 1
0.9122976074 1.0000000000
10 1 1 1 1
2.2084557679 1.0000000000
11 1 1 1 1
5.5444662537 1.0000000000
12 1 1 1 1
13.1858740758 1.0000000000
13 1 1 1 1
31.3567690240 1.0000000000
14 2 2 1 1
0.3039135307 1.0000000000
15 2 2 1 1
0.9016923088 1.0000000000
16 2 2 1 1
2.5133805222 1.0000000000
17 2 2 1 1
7.3337659528 1.0000000000
18 3 3 1 1
1.0730493831 1.0000000000
19 3 3 1 1
2.2979655421 1.0000000000
20 3 3 1 1
4.7981866778 1.0000000000
21 4 4 1 1
0.9607658177 1.0000000000
22 4 4 1 1
2.2587729939 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.9e-08
O RI_aug-SZV-MOLOPT-ae-SR_N_RI_094_s_p_d_f_g_h_i_7_6_6_3_2_0_0_error_1.9e-08
24
1 0 0 1 1
0.3515826621 1.0000000000
2 0 0 1 1
0.6448754961 1.0000000000
3 0 0 1 1
1.7898649211 1.0000000000
4 0 0 1 1
6.2409470948 1.0000000000
5 0 0 1 1
18.7949111636 1.0000000000
6 0 0 1 1
55.2761722729 1.0000000000
7 0 0 1 1
162.7693146685 1.0000000000
8 1 1 1 1
0.6044455579 1.0000000000
9 1 1 1 1
0.8237183654 1.0000000000
10 1 1 1 1
2.0808831664 1.0000000000
11 1 1 1 1
5.5132934628 1.0000000000
12 1 1 1 1
13.1373170891 1.0000000000
13 1 1 1 1
31.2951304076 1.0000000000
14 2 2 1 1
0.3028548892 1.0000000000
15 2 2 1 1
0.5727442735 1.0000000000
16 2 2 1 1
1.0843478581 1.0000000000
17 2 2 1 1
2.0499403326 1.0000000000
18 2 2 1 1
3.8758323274 1.0000000000
19 2 2 1 1
7.3213978891 1.0000000000
20 3 3 1 1
1.0425120714 1.0000000000
21 3 3 1 1
2.2677711242 1.0000000000
22 3 3 1 1
4.7950512595 1.0000000000
23 4 4 1 1
0.9750148016 1.0000000000
24 4 4 1 1
2.2699013156 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 4.2e-02
O RI_aug-SZV-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_5_1_1_0_0_0_0_error_4.2e-02
7
1 0 0 1 1
0.5062811446 1.0000000000
2 0 0 1 1
2.5926629766 1.0000000000
3 0 0 1 1
15.7440006433 1.0000000000
4 0 0 1 1
86.8209063052 1.0000000000
5 0 0 1 1
467.9184862809 1.0000000000
6 1 1 1 1
1.3461991559 1.0000000000
7 2 2 1 1
1.7411130613 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.6e-02
O RI_aug-SZV-MOLOPT-ae_N_RI_024_s_p_d_f_g_h_i_6_2_1_1_0_0_0_error_1.6e-02
10
1 0 0 1 1
0.4406276910 1.0000000000
2 0 0 1 1
1.8768923182 1.0000000000
3 0 0 1 1
6.3429773099 1.0000000000
4 0 0 1 1
25.6975388317 1.0000000000
5 0 0 1 1
110.9173062863 1.0000000000
6 0 0 1 1
480.6209323922 1.0000000000
7 1 1 1 1
1.6749670250 1.0000000000
8 1 1 1 1
10.8429804748 1.0000000000
9 2 2 1 1
1.8997640822 1.0000000000
10 3 3 1 1
0.4642475464 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.8e-04
O RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_1.8e-04
15
1 0 0 1 1
0.2180759215 1.0000000000
2 0 0 1 1
0.7183068446 1.0000000000
3 0 0 1 1
2.1090794763 1.0000000000
4 0 0 1 1
8.8558762166 1.0000000000
5 0 0 1 1
34.3514833756 1.0000000000
6 0 0 1 1
129.5971856888 1.0000000000
7 0 0 1 1
486.2785765669 1.0000000000
8 1 1 1 1
0.4802631422 1.0000000000
9 1 1 1 1
1.5304361353 1.0000000000
10 1 1 1 1
15.4992755738 1.0000000000
11 1 1 1 1
87.8619456922 1.0000000000
12 2 2 1 1
0.2691413217 1.0000000000
13 2 2 1 1
1.0351757346 1.0000000000
14 2 2 1 1
2.1764464633 1.0000000000
15 3 3 1 1
1.1372702684 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 5.3e-05
O RI_aug-SZV-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_5.3e-05
18
1 0 0 1 1
0.4306239504 1.0000000000
2 0 0 1 1
0.8521884623 1.0000000000
3 0 0 1 1
3.0048875724 1.0000000000
4 0 0 1 1
10.9228841684 1.0000000000
5 0 0 1 1
38.9980478913 1.0000000000
6 0 0 1 1
138.1263795543 1.0000000000
7 0 0 1 1
488.4072189716 1.0000000000
8 1 1 1 1
0.4849605520 1.0000000000
9 1 1 1 1
1.2380592592 1.0000000000
10 1 1 1 1
3.9119911188 1.0000000000
11 1 1 1 1
11.2663991798 1.0000000000
12 1 1 1 1
32.5174990955 1.0000000000
13 1 1 1 1
93.4456009991 1.0000000000
14 2 2 1 1
0.5717318000 1.0000000000
15 2 2 1 1
1.7245232247 1.0000000000
16 2 2 1 1
18.3774541080 1.0000000000
17 3 3 1 1
1.0684357346 1.0000000000
18 3 3 1 1
6.0008377772 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 7.1e-06
O RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_7.1e-06
19
1 0 0 1 1
0.4018141370 1.0000000000
2 0 0 1 1
0.8151176898 1.0000000000
3 0 0 1 1
2.9845135906 1.0000000000
4 0 0 1 1
10.8948352087 1.0000000000
5 0 0 1 1
38.9717670113 1.0000000000
6 0 0 1 1
138.0985237091 1.0000000000
7 0 0 1 1
488.3768448588 1.0000000000
8 1 1 1 1
0.3871827308 1.0000000000
9 1 1 1 1
0.9361603476 1.0000000000
10 1 1 1 1
3.8535343741 1.0000000000
11 1 1 1 1
11.1058914846 1.0000000000
12 1 1 1 1
32.3922740999 1.0000000000
13 1 1 1 1
93.0342360583 1.0000000000
14 2 2 1 1
0.4069747603 1.0000000000
15 2 2 1 1
1.3991202086 1.0000000000
16 2 2 1 1
4.8723885675 1.0000000000
17 2 2 1 1
21.8778375666 1.0000000000
18 3 3 1 1
0.7103161145 1.0000000000
19 3 3 1 1
2.9755479849 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 4.1e-07
O RI_aug-SZV-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_4.1e-07
20
1 0 0 1 1
0.3297155479 1.0000000000
2 0 0 1 1
0.8940696620 1.0000000000
3 0 0 1 1
3.0804002870 1.0000000000
4 0 0 1 1
10.9993033773 1.0000000000
5 0 0 1 1
39.0725258868 1.0000000000
6 0 0 1 1
138.2055622820 1.0000000000
7 0 0 1 1
488.4936374930 1.0000000000
8 1 1 1 1
0.3473668351 1.0000000000
9 1 1 1 1
1.2486865031 1.0000000000
10 1 1 1 1
3.6108931111 1.0000000000
11 1 1 1 1
10.7042664634 1.0000000000
12 1 1 1 1
31.8053629850 1.0000000000
13 1 1 1 1
94.1963194348 1.0000000000
14 2 2 1 1
0.4481890257 1.0000000000
15 2 2 1 1
1.5001354554 1.0000000000
16 2 2 1 1
4.5980115325 1.0000000000
17 2 2 1 1
21.8516061888 1.0000000000
18 3 3 1 1
0.5502182315 1.0000000000
19 3 3 1 1
2.0012627133 1.0000000000
20 3 3 1 1
13.9368062469 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.8e-07
O RI_aug-SZV-MOLOPT-ae_N_RI_108_s_p_d_f_g_h_i_7_6_6_5_2_0_0_error_1.8e-07
26
1 0 0 1 1
0.3444894440 1.0000000000
2 0 0 1 1
0.9091556640 1.0000000000
3 0 0 1 1
3.1097707550 1.0000000000
4 0 0 1 1
11.0349994141 1.0000000000
5 0 0 1 1
39.1010203672 1.0000000000
6 0 0 1 1
138.2346100950 1.0000000000
7 0 0 1 1
488.5270529402 1.0000000000
8 1 1 1 1
0.3479884360 1.0000000000
9 1 1 1 1
1.2356196798 1.0000000000
10 1 1 1 1
3.6420252560 1.0000000000
11 1 1 1 1
10.7695892998 1.0000000000
12 1 1 1 1
31.8650126208 1.0000000000
13 1 1 1 1
94.2526242359 1.0000000000
14 2 2 1 1
0.3066131492 1.0000000000
15 2 2 1 1
0.7127228855 1.0000000000
16 2 2 1 1
1.6821932472 1.0000000000
17 2 2 1 1
3.9623688080 1.0000000000
18 2 2 1 1
9.3333592604 1.0000000000
19 2 2 1 1
21.9880801810 1.0000000000
20 3 3 1 1
0.4542116367 1.0000000000
21 3 3 1 1
1.3698133384 1.0000000000
22 3 3 1 1
2.9221467561 1.0000000000
23 3 3 1 1
6.4456689307 1.0000000000
24 3 3 1 1
14.0842067920 1.0000000000
25 4 4 1 1
0.8254236980 1.0000000000
26 4 4 1 1
7.0126131855 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 3.1e-02
O RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_3.1e-02
8
1 0 0 1 1
0.9328356312 1.0000000000
2 0 0 1 1
1.5506774909 1.0000000000
3 0 0 1 1
13.5314468592 1.0000000000
4 0 0 1 1
155.5873278195 1.0000000000
5 1 1 1 1
0.2181701263 1.0000000000
6 1 1 1 1
1.7755978336 1.0000000000
7 1 1 1 1
4.0055758664 1.0000000000
8 2 2 1 1
1.6346574773 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.2e-02
O RI_aug-DZVP-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_7_3_1_1_0_0_0_error_1.2e-02
12
1 0 0 1 1
0.1220793427 1.0000000000
2 0 0 1 1
0.4050741799 1.0000000000
3 0 0 1 1
1.3440781000 1.0000000000
4 0 0 1 1
4.4597909937 1.0000000000
5 0 0 1 1
14.7980742001 1.0000000000
6 0 0 1 1
49.1016267543 1.0000000000
7 0 0 1 1
162.9245717276 1.0000000000
8 1 1 1 1
0.6321473856 1.0000000000
9 1 1 1 1
1.4984171309 1.0000000000
10 1 1 1 1
13.7397470116 1.0000000000
11 2 2 1 1
1.4945787018 1.0000000000
12 3 3 1 1
1.6812064943 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.5e-03
O RI_aug-DZVP-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_7_3_2_1_0_0_0_error_1.5e-03
13
1 0 0 1 1
0.1497620584 1.0000000000
2 0 0 1 1
0.7329426345 1.0000000000
3 0 0 1 1
2.1960703561 1.0000000000
4 0 0 1 1
6.3851506859 1.0000000000
5 0 0 1 1
18.7927574683 1.0000000000
6 0 0 1 1
55.3329110940 1.0000000000
7 0 0 1 1
162.8361040391 1.0000000000
8 1 1 1 1
0.8535243743 1.0000000000
9 1 1 1 1
1.6127280837 1.0000000000
10 1 1 1 1
17.3021770677 1.0000000000
11 2 2 1 1
0.7678366833 1.0000000000
12 2 2 1 1
2.7382382304 1.0000000000
13 3 3 1 1
1.2487837087 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 7.2e-04
O RI_aug-DZVP-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_7.2e-04
15
1 0 0 1 1
0.3102637643 1.0000000000
2 0 0 1 1
0.6988249187 1.0000000000
3 0 0 1 1
1.9978906213 1.0000000000
4 0 0 1 1
6.2273960032 1.0000000000
5 0 0 1 1
18.6377528456 1.0000000000
6 0 0 1 1
55.1581526291 1.0000000000
7 0 0 1 1
162.6625249591 1.0000000000
8 1 1 1 1
0.5071855830 1.0000000000
9 1 1 1 1
0.8880256198 1.0000000000
10 1 1 1 1
3.5362762975 1.0000000000
11 1 1 1 1
13.7879736692 1.0000000000
12 2 2 1 1
0.6800692936 1.0000000000
13 2 2 1 1
1.3056672699 1.0000000000
14 2 2 1 1
5.9981300777 1.0000000000
15 3 3 1 1
1.4856489001 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 3.4e-04
O RI_aug-DZVP-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_3.4e-04
17
1 0 0 1 1
0.3718152050 1.0000000000
2 0 0 1 1
0.6674071413 1.0000000000
3 0 0 1 1
1.8694101918 1.0000000000
4 0 0 1 1
5.9838208307 1.0000000000
5 0 0 1 1
18.3626940132 1.0000000000
6 0 0 1 1
54.8761232308 1.0000000000
7 0 0 1 1
162.3682015385 1.0000000000
8 1 1 1 1
0.5824726315 1.0000000000
9 1 1 1 1
0.8936294489 1.0000000000
10 1 1 1 1
3.9008865880 1.0000000000
11 1 1 1 1
10.6489906088 1.0000000000
12 1 1 1 1
31.3584687298 1.0000000000
13 2 2 1 1
0.4664943564 1.0000000000
14 2 2 1 1
1.3889819744 1.0000000000
15 2 2 1 1
4.8690725358 1.0000000000
16 3 3 1 1
1.4699142238 1.0000000000
17 4 4 1 1
0.6192247138 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.2e-04
O RI_aug-DZVP-MOLOPT-ae_N_RI_060_s_p_d_f_g_h_i_7_5_3_2_1_0_0_error_1.2e-04
18
1 0 0 1 1
0.3549500948 1.0000000000
2 0 0 1 1
0.6969874540 1.0000000000
3 0 0 1 1
1.9443079723 1.0000000000
4 0 0 1 1
6.1458644070 1.0000000000
5 0 0 1 1
18.5453917573 1.0000000000
6 0 0 1 1
55.0606031737 1.0000000000
7 0 0 1 1
162.5633421527 1.0000000000
8 1 1 1 1
0.3582466802 1.0000000000
9 1 1 1 1
0.9365667288 1.0000000000
10 1 1 1 1
2.9919506196 1.0000000000
11 1 1 1 1
10.1774147209 1.0000000000
12 1 1 1 1
30.9816754305 1.0000000000
13 2 2 1 1
0.5619392415 1.0000000000
14 2 2 1 1
1.1180265993 1.0000000000
15 2 2 1 1
4.7851538276 1.0000000000
16 3 3 1 1
1.1403391558 1.0000000000
17 3 3 1 1
5.4590850252 1.0000000000
18 4 4 1 1
0.6879130615 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 4.9e-06
O RI_aug-DZVP-MOLOPT-ae_N_RI_072_s_p_d_f_g_h_i_7_5_4_3_1_0_0_error_4.9e-06
20
1 0 0 1 1
0.1496626807 1.0000000000
2 0 0 1 1
0.3912157152 1.0000000000
3 0 0 1 1
1.1732025741 1.0000000000
4 0 0 1 1
3.1434209637 1.0000000000
5 0 0 1 1
12.5166908479 1.0000000000
6 0 0 1 1
46.9427001845 1.0000000000
7 0 0 1 1
160.1633217714 1.0000000000
8 1 1 1 1
0.1836459248 1.0000000000
9 1 1 1 1
0.6817230727 1.0000000000
10 1 1 1 1
1.0774825187 1.0000000000
11 1 1 1 1
3.6017502772 1.0000000000
12 1 1 1 1
19.1150952675 1.0000000000
13 2 2 1 1
0.1540353273 1.0000000000
14 2 2 1 1
0.5763654079 1.0000000000
15 2 2 1 1
1.2748427615 1.0000000000
16 2 2 1 1
4.7632071044 1.0000000000
17 3 3 1 1
0.3750085912 1.0000000000
18 3 3 1 1
1.3372638464 1.0000000000
19 3 3 1 1
5.0641646561 1.0000000000
20 4 4 1 1
0.7109823428 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.8e-06
O RI_aug-DZVP-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_5_5_3_3_0_0_error_1.8e-06
23
1 0 0 1 1
0.1097027319 1.0000000000
2 0 0 1 1
0.3697189834 1.0000000000
3 0 0 1 1
1.2460230075 1.0000000000
4 0 0 1 1
4.1993335400 1.0000000000
5 0 0 1 1
14.1525495872 1.0000000000
6 0 0 1 1
47.6967733132 1.0000000000
7 0 0 1 1
160.7471618104 1.0000000000
8 1 1 1 1
0.3206021709 1.0000000000
9 1 1 1 1
0.8246135739 1.0000000000
10 1 1 1 1
2.1115719050 1.0000000000
11 1 1 1 1
8.0690812076 1.0000000000
12 1 1 1 1
26.2678310861 1.0000000000
13 2 2 1 1
0.3822312671 1.0000000000
14 2 2 1 1
0.6741166038 1.0000000000
15 2 2 1 1
1.5065321822 1.0000000000
16 2 2 1 1
3.3523482080 1.0000000000
17 2 2 1 1
7.5938737670 1.0000000000
18 3 3 1 1
0.3911089825 1.0000000000
19 3 3 1 1
1.2427639346 1.0000000000
20 3 3 1 1
4.1683816756 1.0000000000
21 4 4 1 1
0.5995007479 1.0000000000
22 4 4 1 1
1.4619082563 1.0000000000
23 4 4 1 1
2.5977990388 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 4.7e-07
O RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_5_4_3_0_0_error_4.7e-07
25
1 0 0 1 1
0.1959047066 1.0000000000
2 0 0 1 1
0.4069838382 1.0000000000
3 0 0 1 1
1.3148829934 1.0000000000
4 0 0 1 1
4.4312553421 1.0000000000
5 0 0 1 1
15.5342692827 1.0000000000
6 0 0 1 1
51.0052996300 1.0000000000
7 0 0 1 1
159.0935411803 1.0000000000
8 1 1 1 1
0.2824855427 1.0000000000
9 1 1 1 1
0.7563202893 1.0000000000
10 1 1 1 1
1.8455324715 1.0000000000
11 1 1 1 1
5.1735651800 1.0000000000
12 1 1 1 1
12.7023100962 1.0000000000
13 1 1 1 1
30.8973273790 1.0000000000
14 2 2 1 1
0.3528331722 1.0000000000
15 2 2 1 1
0.6448585305 1.0000000000
16 2 2 1 1
1.4712921351 1.0000000000
17 2 2 1 1
3.3233438010 1.0000000000
18 2 2 1 1
7.7399650681 1.0000000000
19 3 3 1 1
0.3458735307 1.0000000000
20 3 3 1 1
0.8720072153 1.0000000000
21 3 3 1 1
1.8965474790 1.0000000000
22 3 3 1 1
4.9420891606 1.0000000000
23 4 4 1 1
0.4745012550 1.0000000000
24 4 4 1 1
1.4818699783 1.0000000000
25 4 4 1 1
3.1881423137 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 3.7e-02
O RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_3.7e-02
9
1 0 0 1 1
0.3159497368 1.0000000000
2 0 0 1 1
1.9080094003 1.0000000000
3 0 0 1 1
12.0863536609 1.0000000000
4 0 0 1 1
85.4743209155 1.0000000000
5 1 1 1 1
1.1447289943 1.0000000000
6 1 1 1 1
1.7370362061 1.0000000000
7 1 1 1 1
5.8867329794 1.0000000000
8 2 2 1 1
1.7873960573 1.0000000000
9 3 3 1 1
1.9137454195 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.5e-02
O RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_1.5e-02
10
1 0 0 1 1
0.3836435741 1.0000000000
2 0 0 1 1
2.5594126600 1.0000000000
3 0 0 1 1
7.4632154556 1.0000000000
4 0 0 1 1
91.3175615408 1.0000000000
5 1 1 1 1
1.0206452060 1.0000000000
6 1 1 1 1
1.7214350144 1.0000000000
7 1 1 1 1
14.9951730104 1.0000000000
8 2 2 1 1
1.1316072317 1.0000000000
9 2 2 1 1
2.6036734885 1.0000000000
10 3 3 1 1
1.6294342555 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 7.2e-03
O RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_5_3_3_2_0_0_0_error_7.2e-03
13
1 0 0 1 1
0.3826551011 1.0000000000
2 0 0 1 1
0.9359524515 1.0000000000
3 0 0 1 1
4.0908552684 1.0000000000
4 0 0 1 1
25.4448271199 1.0000000000
5 0 0 1 1
124.9878386966 1.0000000000
6 1 1 1 1
0.8275527697 1.0000000000
7 1 1 1 1
1.4566302904 1.0000000000
8 1 1 1 1
5.0967727554 1.0000000000
9 2 2 1 1
0.7193864869 1.0000000000
10 2 2 1 1
0.9990507562 1.0000000000
11 2 2 1 1
4.9509653960 1.0000000000
12 3 3 1 1
1.2207689145 1.0000000000
13 3 3 1 1
2.3332781584 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.9e-03
O RI_aug-TZVP-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_5_3_3_2_1_0_0_error_1.9e-03
14
1 0 0 1 1
0.6224726532 1.0000000000
2 0 0 1 1
0.8864793139 1.0000000000
3 0 0 1 1
4.3930304324 1.0000000000
4 0 0 1 1
27.6990676288 1.0000000000
5 0 0 1 1
157.9594149001 1.0000000000
6 1 1 1 1
0.8869673958 1.0000000000
7 1 1 1 1
1.8096816585 1.0000000000
8 1 1 1 1
3.6895973143 1.0000000000
9 2 2 1 1
0.7347315053 1.0000000000
10 2 2 1 1
1.3053424402 1.0000000000
11 2 2 1 1
5.8324327057 1.0000000000
12 3 3 1 1
1.1767995319 1.0000000000
13 3 3 1 1
2.9446679376 1.0000000000
14 4 4 1 1
1.5453806960 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 9.4e-04
O RI_aug-TZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_4_3_2_2_0_0_error_9.4e-04
18
1 0 0 1 1
0.3664566315 1.0000000000
2 0 0 1 1
0.7504542396 1.0000000000
3 0 0 1 1
2.0700645424 1.0000000000
4 0 0 1 1
6.1622128221 1.0000000000
5 0 0 1 1
18.4889317327 1.0000000000
6 0 0 1 1
54.9641046500 1.0000000000
7 0 0 1 1
162.4526354489 1.0000000000
8 1 1 1 1
0.6610249346 1.0000000000
9 1 1 1 1
1.3825461690 1.0000000000
10 1 1 1 1
4.7203891508 1.0000000000
11 1 1 1 1
14.1874530366 1.0000000000
12 2 2 1 1
0.7205460786 1.0000000000
13 2 2 1 1
1.6956656944 1.0000000000
14 2 2 1 1
6.6328419698 1.0000000000
15 3 3 1 1
0.9970544300 1.0000000000
16 3 3 1 1
2.6395400901 1.0000000000
17 4 4 1 1
0.9345856656 1.0000000000
18 4 4 1 1
2.5102684412 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 3.1e-04
O RI_aug-TZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_4_3_3_2_0_0_error_3.1e-04
19
1 0 0 1 1
0.4028338608 1.0000000000
2 0 0 1 1
0.7770023228 1.0000000000
3 0 0 1 1
2.0395912220 1.0000000000
4 0 0 1 1
6.1296286199 1.0000000000
5 0 0 1 1
18.4739607257 1.0000000000
6 0 0 1 1
54.9397275452 1.0000000000
7 0 0 1 1
162.4346617851 1.0000000000
8 1 1 1 1
0.6479886354 1.0000000000
9 1 1 1 1
1.1025118304 1.0000000000
10 1 1 1 1
3.1557134131 1.0000000000
11 1 1 1 1
11.8634428380 1.0000000000
12 2 2 1 1
0.6123977259 1.0000000000
13 2 2 1 1
1.5855240672 1.0000000000
14 2 2 1 1
5.7342675391 1.0000000000
15 3 3 1 1
0.9349082079 1.0000000000
16 3 3 1 1
1.8949417286 1.0000000000
17 3 3 1 1
5.2598943277 1.0000000000
18 4 4 1 1
0.7509972444 1.0000000000
19 4 4 1 1
2.2698060698 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 6.7e-05
O RI_aug-TZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_4_3_3_2_1_0_error_6.7e-05
20
1 0 0 1 1
0.3949766272 1.0000000000
2 0 0 1 1
0.7581774727 1.0000000000
3 0 0 1 1
2.0199862314 1.0000000000
4 0 0 1 1
6.1337338090 1.0000000000
5 0 0 1 1
18.5098503864 1.0000000000
6 0 0 1 1
54.9930713327 1.0000000000
7 0 0 1 1
162.4863814100 1.0000000000
8 1 1 1 1
0.5925925190 1.0000000000
9 1 1 1 1
1.3028561220 1.0000000000
10 1 1 1 1
4.3158054194 1.0000000000
11 1 1 1 1
16.1875328927 1.0000000000
12 2 2 1 1
0.6221928500 1.0000000000
13 2 2 1 1
1.5767629247 1.0000000000
14 2 2 1 1
5.8316696219 1.0000000000
15 3 3 1 1
0.7488202199 1.0000000000
16 3 3 1 1
1.8506053252 1.0000000000
17 3 3 1 1
5.2990354846 1.0000000000
18 4 4 1 1
0.7667622853 1.0000000000
19 4 4 1 1
2.2477344885 1.0000000000
20 5 5 1 1
0.7626379089 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 2.7e-05
O RI_aug-TZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_4_4_3_2_1_0_error_2.7e-05
21
1 0 0 1 1
0.4017847294 1.0000000000
2 0 0 1 1
0.7444561861 1.0000000000
3 0 0 1 1
1.9469061335 1.0000000000
4 0 0 1 1
5.9134645827 1.0000000000
5 0 0 1 1
18.2203034196 1.0000000000
6 0 0 1 1
54.6292790459 1.0000000000
7 0 0 1 1
162.0797813885 1.0000000000
8 1 1 1 1
0.5278913903 1.0000000000
9 1 1 1 1
1.1421772582 1.0000000000
10 1 1 1 1
3.5062547744 1.0000000000
11 1 1 1 1
12.6388058988 1.0000000000
12 2 2 1 1
0.5329289356 1.0000000000
13 2 2 1 1
0.9321110145 1.0000000000
14 2 2 1 1
1.8623498347 1.0000000000
15 2 2 1 1
6.4023325580 1.0000000000
16 3 3 1 1
0.6849803652 1.0000000000
17 3 3 1 1
1.8640679255 1.0000000000
18 3 3 1 1
5.5952946013 1.0000000000
19 4 4 1 1
0.7204421703 1.0000000000
20 4 4 1 1
2.3840956509 1.0000000000
21 5 5 1 1
0.8731087504 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 1.2e-05
O RI_aug-TZVP-MOLOPT-ae_N_RI_100_s_p_d_f_g_h_i_7_6_5_3_2_1_0_error_1.2e-05
24
1 0 0 1 1
0.1283798277 1.0000000000
2 0 0 1 1
0.4068917904 1.0000000000
3 0 0 1 1
1.1298130974 1.0000000000
4 0 0 1 1
3.4393321793 1.0000000000
5 0 0 1 1
12.5397358651 1.0000000000
6 0 0 1 1
42.3199373137 1.0000000000
7 0 0 1 1
137.8789285876 1.0000000000
8 1 1 1 1
0.5285339812 1.0000000000
9 1 1 1 1
0.9341915996 1.0000000000
10 1 1 1 1
2.2580857341 1.0000000000
11 1 1 1 1
6.0159515648 1.0000000000
12 1 1 1 1
13.9073871590 1.0000000000
13 1 1 1 1
32.5899309186 1.0000000000
14 2 2 1 1
0.3467431720 1.0000000000
15 2 2 1 1
0.5542540736 1.0000000000
16 2 2 1 1
1.5427172866 1.0000000000
17 2 2 1 1
3.2993340623 1.0000000000
18 2 2 1 1
7.7874555396 1.0000000000
19 3 3 1 1
0.6599880739 1.0000000000
20 3 3 1 1
1.9281436686 1.0000000000
21 3 3 1 1
5.7804841272 1.0000000000
22 4 4 1 1
0.7256545547 1.0000000000
23 4 4 1 1
2.4172382787 1.0000000000
24 5 5 1 1
0.7711588260 1.0000000000
# RI basis set for O (all-electron) relative DI metric: 5.1e-06
O RI_aug-TZVP-MOLOPT-ae_N_RI_119_s_p_d_f_g_h_i_7_6_6_5_2_1_0_error_5.1e-06
27
1 0 0 1 1
0.3131338435 1.0000000000
2 0 0 1 1
0.7963612792 1.0000000000
3 0 0 1 1
1.2625319900 1.0000000000
4 0 0 1 1
3.4547474958 1.0000000000
5 0 0 1 1
11.9711403724 1.0000000000
6 0 0 1 1
41.2099877111 1.0000000000
7 0 0 1 1
127.2855805943 1.0000000000
8 1 1 1 1
0.4811550391 1.0000000000
9 1 1 1 1
0.9146961399 1.0000000000
10 1 1 1 1
2.0907347044 1.0000000000
11 1 1 1 1
5.2554856193 1.0000000000
12 1 1 1 1
12.8345181734 1.0000000000
13 1 1 1 1
30.9368078987 1.0000000000
14 2 2 1 1
0.3036284851 1.0000000000
15 2 2 1 1
0.5697519005 1.0000000000
16 2 2 1 1
1.0839964710 1.0000000000
17 2 2 1 1
2.0567654326 1.0000000000
18 2 2 1 1
3.9245649170 1.0000000000
19 2 2 1 1
7.6652591959 1.0000000000
20 3 3 1 1
0.6184939858 1.0000000000
21 3 3 1 1
1.0221331961 1.0000000000
22 3 3 1 1
1.7166591598 1.0000000000
23 3 3 1 1
2.8843071836 1.0000000000
24 3 3 1 1
5.0938068974 1.0000000000
25 4 4 1 1
0.6932411426 1.0000000000
26 4 4 1 1
2.1791102198 1.0000000000
27 5 5 1 1
0.9226622435 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 4.4e-02
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_4.4e-02
4
1 0 0 1 1
0.3986587783 1.0000000000
2 0 0 1 1
3.0160515346 1.0000000000
3 0 0 1 1
22.8178693395 1.0000000000
4 1 1 1 1
4.3689624046 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 4.7e-03
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_4.7e-03
5
1 0 0 1 1
0.1279253598 1.0000000000
2 0 0 1 1
0.7319554190 1.0000000000
3 0 0 1 1
2.6436461934 1.0000000000
4 1 1 1 1
4.3046185902 1.0000000000
5 2 2 1 1
4.9651244178 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.1e-03
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_2.1e-03
8
1 0 0 1 1
0.4950434129 1.0000000000
2 0 0 1 1
1.3374532133 1.0000000000
3 0 0 1 1
3.7086032862 1.0000000000
4 0 0 1 1
9.3142678407 1.0000000000
5 1 1 1 1
0.2899636126 1.0000000000
6 1 1 1 1
0.7202797545 1.0000000000
7 1 1 1 1
1.8459653565 1.0000000000
8 2 2 1 1
5.0043452160 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 4.7e-06
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_4.7e-06
9
1 0 0 1 1
0.2764689957 1.0000000000
2 0 0 1 1
1.1287583543 1.0000000000
3 0 0 1 1
3.1187188899 1.0000000000
4 0 0 1 1
14.0999379137 1.0000000000
5 1 1 1 1
0.2765665388 1.0000000000
6 1 1 1 1
0.9651991371 1.0000000000
7 1 1 1 1
2.9083702575 1.0000000000
8 2 2 1 1
0.2992894257 1.0000000000
9 2 2 1 1
3.6943557033 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.2e-06
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_2.2e-06
10
1 0 0 1 1
0.1916936098 1.0000000000
2 0 0 1 1
0.5035308800 1.0000000000
3 0 0 1 1
1.3420008444 1.0000000000
4 0 0 1 1
3.8587634671 1.0000000000
5 0 0 1 1
10.4922469210 1.0000000000
6 1 1 1 1
0.2348395795 1.0000000000
7 1 1 1 1
0.6630414405 1.0000000000
8 1 1 1 1
2.7118112576 1.0000000000
9 2 2 1 1
0.3163212941 1.0000000000
10 2 2 1 1
3.6395284305 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 1.0e-06
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_029_s_p_d_f_g_h_i_5_3_3_0_0_0_0_error_1.0e-06
11
1 0 0 1 1
0.1867626678 1.0000000000
2 0 0 1 1
0.5123007160 1.0000000000
3 0 0 1 1
1.4054173519 1.0000000000
4 0 0 1 1
3.8574599408 1.0000000000
5 0 0 1 1
10.5837003415 1.0000000000
6 1 1 1 1
0.2258453930 1.0000000000
7 1 1 1 1
1.0012977094 1.0000000000
8 1 1 1 1
2.6237607561 1.0000000000
9 2 2 1 1
0.3569649907 1.0000000000
10 2 2 1 1
2.7725110964 1.0000000000
11 2 2 1 1
6.4569329891 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.5e-07
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.5e-07
13
1 0 0 1 1
0.2462927166 1.0000000000
2 0 0 1 1
0.5874459515 1.0000000000
3 0 0 1 1
1.2576438658 1.0000000000
4 0 0 1 1
2.4905891837 1.0000000000
5 0 0 1 1
5.2139451668 1.0000000000
6 0 0 1 1
10.8106111651 1.0000000000
7 1 1 1 1
0.2263238677 1.0000000000
8 1 1 1 1
0.8524051058 1.0000000000
9 1 1 1 1
2.3253111498 1.0000000000
10 1 1 1 1
9.6455125989 1.0000000000
11 2 2 1 1
0.3591757129 1.0000000000
12 2 2 1 1
2.8184792026 1.0000000000
13 2 2 1 1
6.3411194253 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 5.6e-08
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_038_s_p_d_f_g_h_i_6_4_4_0_0_0_0_error_5.6e-08
14
1 0 0 1 1
0.2315981922 1.0000000000
2 0 0 1 1
0.5555718186 1.0000000000
3 0 0 1 1
1.1820389897 1.0000000000
4 0 0 1 1
2.3379645952 1.0000000000
5 0 0 1 1
4.9296943760 1.0000000000
6 0 0 1 1
10.2666977424 1.0000000000
7 1 1 1 1
0.2328019585 1.0000000000
8 1 1 1 1
0.7321477130 1.0000000000
9 1 1 1 1
2.3233821814 1.0000000000
10 1 1 1 1
7.5282429909 1.0000000000
11 2 2 1 1
0.2892024598 1.0000000000
12 2 2 1 1
0.7946116868 1.0000000000
13 2 2 1 1
2.1898049193 1.0000000000
14 2 2 1 1
6.1676280497 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.7e-08
F RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.7e-08
19
1 0 0 1 1
0.2618568441 1.0000000000
2 0 0 1 1
0.5199828907 1.0000000000
3 0 0 1 1
0.9653180694 1.0000000000
4 0 0 1 1
1.7575091726 1.0000000000
5 0 0 1 1
3.2381875512 1.0000000000
6 0 0 1 1
5.9025492331 1.0000000000
7 0 0 1 1
10.7311638508 1.0000000000
8 1 1 1 1
0.2672708372 1.0000000000
9 1 1 1 1
0.5971999147 1.0000000000
10 1 1 1 1
1.2483042967 1.0000000000
11 1 1 1 1
2.5367771077 1.0000000000
12 1 1 1 1
5.2601292756 1.0000000000
13 1 1 1 1
10.7387089968 1.0000000000
14 2 2 1 1
0.3031706390 1.0000000000
15 2 2 1 1
0.6132576796 1.0000000000
16 2 2 1 1
1.2574188041 1.0000000000
17 2 2 1 1
2.5795362368 1.0000000000
18 2 2 1 1
5.2608491523 1.0000000000
19 2 2 1 1
10.7840477353 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 3.9e-02
F RI_aug-SZV-MOLOPT-ae_N_RI_012_s_p_d_f_g_h_i_4_1_1_0_0_0_0_error_3.9e-02
6
1 0 0 1 1
3.5854059760 1.0000000000
2 0 0 1 1
20.8319571411 1.0000000000
3 0 0 1 1
112.1267364004 1.0000000000
4 0 0 1 1
585.5488448476 1.0000000000
5 1 1 1 1
3.0999836020 1.0000000000
6 2 2 1 1
2.1527687985 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 5.2e-03
F RI_aug-SZV-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_5.2e-03
7
1 0 0 1 1
3.8624774903 1.0000000000
2 0 0 1 1
9.8812079622 1.0000000000
3 0 0 1 1
98.8395944295 1.0000000000
4 0 0 1 1
628.5921928450 1.0000000000
5 1 1 1 1
1.9099929077 1.0000000000
6 2 2 1 1
2.4044416007 1.0000000000
7 3 3 1 1
3.0370656606 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 1.0e-03
F RI_aug-SZV-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_7_1_1_1_0_0_0_error_1.0e-03
10
1 0 0 1 1
0.2620157456 1.0000000000
2 0 0 1 1
0.9038810068 1.0000000000
3 0 0 1 1
3.6732689768 1.0000000000
4 0 0 1 1
13.2821749389 1.0000000000
5 0 0 1 1
48.2756333416 1.0000000000
6 0 0 1 1
176.7683639381 1.0000000000
7 0 0 1 1
648.3130266412 1.0000000000
8 1 1 1 1
2.0447469562 1.0000000000
9 2 2 1 1
2.8337282919 1.0000000000
10 3 3 1 1
3.2504863578 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.4e-04
F RI_aug-SZV-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_7_5_1_1_0_0_0_error_2.4e-04
14
1 0 0 1 1
0.2251974544 1.0000000000
2 0 0 1 1
1.2438582221 1.0000000000
3 0 0 1 1
4.9407129322 1.0000000000
4 0 0 1 1
16.2718480208 1.0000000000
5 0 0 1 1
53.1136264241 1.0000000000
6 0 0 1 1
183.1619845578 1.0000000000
7 0 0 1 1
649.1502088954 1.0000000000
8 1 1 1 1
0.1706281109 1.0000000000
9 1 1 1 1
2.2320714859 1.0000000000
10 1 1 1 1
6.2833667184 1.0000000000
11 1 1 1 1
27.5992244058 1.0000000000
12 1 1 1 1
113.0164103075 1.0000000000
13 2 2 1 1
2.8126347756 1.0000000000
14 3 3 1 1
3.0726651097 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 6.9e-05
F RI_aug-SZV-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_7_6_1_1_1_0_0_error_6.9e-05
16
1 0 0 1 1
0.1869045720 1.0000000000
2 0 0 1 1
0.5953843079 1.0000000000
3 0 0 1 1
2.7262606173 1.0000000000
4 0 0 1 1
10.1289779799 1.0000000000
5 0 0 1 1
39.7367152845 1.0000000000
6 0 0 1 1
159.8775367650 1.0000000000
7 0 0 1 1
645.7792900582 1.0000000000
8 1 1 1 1
0.1282691475 1.0000000000
9 1 1 1 1
0.5027577167 1.0000000000
10 1 1 1 1
1.9705876232 1.0000000000
11 1 1 1 1
7.7238142530 1.0000000000
12 1 1 1 1
30.2738983157 1.0000000000
13 1 1 1 1
118.6601463039 1.0000000000
14 2 2 1 1
2.7736907456 1.0000000000
15 3 3 1 1
3.0723897758 1.0000000000
16 4 4 1 1
0.3922152109 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 1.4e-05
F RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.4e-05
19
1 0 0 1 1
0.1265779537 1.0000000000
2 0 0 1 1
0.5251361256 1.0000000000
3 0 0 1 1
2.1786411482 1.0000000000
4 0 0 1 1
9.0385655305 1.0000000000
5 0 0 1 1
37.4984502837 1.0000000000
6 0 0 1 1
155.5704571654 1.0000000000
7 0 0 1 1
645.4177961781 1.0000000000
8 1 1 1 1
0.2091824598 1.0000000000
9 1 1 1 1
1.7060491582 1.0000000000
10 1 1 1 1
4.5892205336 1.0000000000
11 1 1 1 1
13.5952358811 1.0000000000
12 1 1 1 1
40.0448606759 1.0000000000
13 1 1 1 1
118.0078814356 1.0000000000
14 2 2 1 1
0.2102478424 1.0000000000
15 2 2 1 1
2.6056265131 1.0000000000
16 2 2 1 1
27.3328854445 1.0000000000
17 3 3 1 1
2.8062216486 1.0000000000
18 3 3 1 1
15.5201615747 1.0000000000
19 4 4 1 1
2.6607386482 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 5.8e-06
F RI_aug-SZV-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_5.8e-06
20
1 0 0 1 1
0.1273461299 1.0000000000
2 0 0 1 1
0.5277846691 1.0000000000
3 0 0 1 1
2.1873976355 1.0000000000
4 0 0 1 1
9.0656451716 1.0000000000
5 0 0 1 1
37.5724653542 1.0000000000
6 0 0 1 1
155.7186629476 1.0000000000
7 0 0 1 1
645.3742588073 1.0000000000
8 1 1 1 1
0.1733687741 1.0000000000
9 1 1 1 1
1.8020781250 1.0000000000
10 1 1 1 1
4.5697814534 1.0000000000
11 1 1 1 1
13.6080961367 1.0000000000
12 1 1 1 1
40.0348599916 1.0000000000
13 1 1 1 1
117.9902489619 1.0000000000
14 2 2 1 1
0.2020930960 1.0000000000
15 2 2 1 1
1.8948302696 1.0000000000
16 2 2 1 1
5.2882739943 1.0000000000
17 2 2 1 1
27.2509249323 1.0000000000
18 3 3 1 1
2.7382996183 1.0000000000
19 3 3 1 1
12.7873935108 1.0000000000
20 4 4 1 1
2.7452017599 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 1.3e-06
F RI_aug-SZV-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.3e-06
21
1 0 0 1 1
0.1076819874 1.0000000000
2 0 0 1 1
0.4589294939 1.0000000000
3 0 0 1 1
1.9559100414 1.0000000000
4 0 0 1 1
8.3358862975 1.0000000000
5 0 0 1 1
35.5266852627 1.0000000000
6 0 0 1 1
151.4110582950 1.0000000000
7 0 0 1 1
645.2982709970 1.0000000000
8 1 1 1 1
0.1539364329 1.0000000000
9 1 1 1 1
1.6972930281 1.0000000000
10 1 1 1 1
4.0924579602 1.0000000000
11 1 1 1 1
13.1240621862 1.0000000000
12 1 1 1 1
39.5840900898 1.0000000000
13 1 1 1 1
117.5863446097 1.0000000000
14 2 2 1 1
0.1946960151 1.0000000000
15 2 2 1 1
1.9520296194 1.0000000000
16 2 2 1 1
4.5282338068 1.0000000000
17 2 2 1 1
26.1967893294 1.0000000000
18 3 3 1 1
1.7491811726 1.0000000000
19 3 3 1 1
4.0555527857 1.0000000000
20 3 3 1 1
16.5459588973 1.0000000000
21 4 4 1 1
2.8362867058 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 4.0e-07
F RI_aug-SZV-MOLOPT-ae_N_RI_119_s_p_d_f_g_h_i_7_6_4_3_2_2_1_error_4.0e-07
25
1 0 0 1 1
0.0999352621 1.0000000000
2 0 0 1 1
0.4312563940 1.0000000000
3 0 0 1 1
1.8610255419 1.0000000000
4 0 0 1 1
8.0309906794 1.0000000000
5 0 0 1 1
34.6565964643 1.0000000000
6 0 0 1 1
149.5556059902 1.0000000000
7 0 0 1 1
645.3859167967 1.0000000000
8 1 1 1 1
0.1254507653 1.0000000000
9 1 1 1 1
0.4935945977 1.0000000000
10 1 1 1 1
1.9420816346 1.0000000000
11 1 1 1 1
7.6412526276 1.0000000000
12 1 1 1 1
30.0650298305 1.0000000000
13 1 1 1 1
118.2929113780 1.0000000000
14 2 2 1 1
0.1617308436 1.0000000000
15 2 2 1 1
0.9081656026 1.0000000000
16 2 2 1 1
2.9715009758 1.0000000000
17 2 2 1 1
24.9201422799 1.0000000000
18 3 3 1 1
1.6245382294 1.0000000000
19 3 3 1 1
3.8443374904 1.0000000000
20 3 3 1 1
17.8171763280 1.0000000000
21 4 4 1 1
2.1558144487 1.0000000000
22 4 4 1 1
8.6849765440 1.0000000000
23 5 5 1 1
1.8465706996 1.0000000000
24 5 5 1 1
7.0302112039 1.0000000000
25 6 6 1 1
3.2327123206 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 1.9e-02
F RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_5_2_1_1_0_0_0_error_1.9e-02
9
1 0 0 1 1
0.1546848844 1.0000000000
2 0 0 1 1
1.2541172930 1.0000000000
3 0 0 1 1
9.6258760820 1.0000000000
4 0 0 1 1
79.2528777700 1.0000000000
5 0 0 1 1
644.6015124074 1.0000000000
6 1 1 1 1
0.5369775865 1.0000000000
7 1 1 1 1
2.5756787251 1.0000000000
8 2 2 1 1
1.5633010807 1.0000000000
9 3 3 1 1
3.7676917266 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 5.6e-03
F RI_aug-DZVP-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_2_1_1_1_0_0_error_5.6e-03
11
1 0 0 1 1
0.4109703543 1.0000000000
2 0 0 1 1
1.9260955779 1.0000000000
3 0 0 1 1
9.9674671030 1.0000000000
4 0 0 1 1
42.5346836657 1.0000000000
5 0 0 1 1
166.9640714979 1.0000000000
6 0 0 1 1
643.1999962503 1.0000000000
7 1 1 1 1
0.8499117327 1.0000000000
8 1 1 1 1
2.3454546434 1.0000000000
9 2 2 1 1
2.1615578696 1.0000000000
10 3 3 1 1
1.5817105756 1.0000000000
11 4 4 1 1
0.7757779476 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.2e-04
F RI_aug-DZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_7_3_3_1_1_0_0_error_2.2e-04
15
1 0 0 1 1
0.1226175883 1.0000000000
2 0 0 1 1
0.5108338046 1.0000000000
3 0 0 1 1
2.1281659468 1.0000000000
4 0 0 1 1
8.8660937228 1.0000000000
5 0 0 1 1
36.9367665273 1.0000000000
6 0 0 1 1
153.8811580829 1.0000000000
7 0 0 1 1
641.0796838069 1.0000000000
8 1 1 1 1
0.8296489154 1.0000000000
9 1 1 1 1
1.9070313845 1.0000000000
10 1 1 1 1
18.2438595579 1.0000000000
11 2 2 1 1
0.8230937079 1.0000000000
12 2 2 1 1
1.8915176327 1.0000000000
13 2 2 1 1
10.9206168359 1.0000000000
14 3 3 1 1
1.5360633264 1.0000000000
15 4 4 1 1
1.1943211072 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 8.1e-05
F RI_aug-DZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_3_3_3_1_0_0_error_8.1e-05
17
1 0 0 1 1
0.1438459015 1.0000000000
2 0 0 1 1
0.5837038778 1.0000000000
3 0 0 1 1
2.3685848869 1.0000000000
4 0 0 1 1
9.6114127798 1.0000000000
5 0 0 1 1
39.0017535550 1.0000000000
6 0 0 1 1
158.2635637820 1.0000000000
7 0 0 1 1
642.2109774982 1.0000000000
8 1 1 1 1
0.6193724014 1.0000000000
9 1 1 1 1
2.1105205779 1.0000000000
10 1 1 1 1
42.2243789251 1.0000000000
11 2 2 1 1
0.8040448193 1.0000000000
12 2 2 1 1
2.3949360699 1.0000000000
13 2 2 1 1
15.9800470118 1.0000000000
14 3 3 1 1
0.8263266054 1.0000000000
15 3 3 1 1
2.5770848054 1.0000000000
16 3 3 1 1
14.8227094815 1.0000000000
17 4 4 1 1
1.2312585162 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 3.8e-05
F RI_aug-DZVP-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_5_3_3_3_0_0_error_3.8e-05
21
1 0 0 1 1
0.5524583813 1.0000000000
2 0 0 1 1
0.9263584076 1.0000000000
3 0 0 1 1
3.7536498831 1.0000000000
4 0 0 1 1
13.8696363383 1.0000000000
5 0 0 1 1
49.9651424297 1.0000000000
6 0 0 1 1
179.6341779215 1.0000000000
7 0 0 1 1
645.4317311778 1.0000000000
8 1 1 1 1
0.5663310069 1.0000000000
9 1 1 1 1
1.9096335923 1.0000000000
10 1 1 1 1
7.9373702022 1.0000000000
11 1 1 1 1
30.6738425675 1.0000000000
12 1 1 1 1
117.8378902033 1.0000000000
13 2 2 1 1
0.7277870184 1.0000000000
14 2 2 1 1
2.2749287956 1.0000000000
15 2 2 1 1
18.0804414265 1.0000000000
16 3 3 1 1
0.8552730141 1.0000000000
17 3 3 1 1
2.9579747598 1.0000000000
18 3 3 1 1
18.2771614526 1.0000000000
19 4 4 1 1
0.9760164692 1.0000000000
20 4 4 1 1
3.2508921749 1.0000000000
21 4 4 1 1
8.8641110940 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 8.6e-06
F RI_aug-DZVP-MOLOPT-ae_N_RI_093_s_p_d_f_g_h_i_7_6_4_3_3_0_0_error_8.6e-06
23
1 0 0 1 1
0.4183635401 1.0000000000
2 0 0 1 1
0.7880773919 1.0000000000
3 0 0 1 1
3.4724805828 1.0000000000
4 0 0 1 1
13.7222021893 1.0000000000
5 0 0 1 1
49.8316661864 1.0000000000
6 0 0 1 1
179.4244621688 1.0000000000
7 0 0 1 1
645.2009340832 1.0000000000
8 1 1 1 1
0.4643989338 1.0000000000
9 1 1 1 1
1.1283761006 1.0000000000
10 1 1 1 1
4.2101445049 1.0000000000
11 1 1 1 1
12.9597536034 1.0000000000
12 1 1 1 1
39.0908703453 1.0000000000
13 1 1 1 1
117.7340873733 1.0000000000
14 2 2 1 1
0.5769420601 1.0000000000
15 2 2 1 1
1.4888738391 1.0000000000
16 2 2 1 1
5.3127375291 1.0000000000
17 2 2 1 1
27.9781305297 1.0000000000
18 3 3 1 1
0.8741840982 1.0000000000
19 3 3 1 1
2.7494310713 1.0000000000
20 3 3 1 1
18.1923285565 1.0000000000
21 4 4 1 1
1.0268396436 1.0000000000
22 4 4 1 1
2.8684446433 1.0000000000
23 4 4 1 1
8.7621378759 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.8e-06
F RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_5_4_3_0_0_error_2.8e-06
25
1 0 0 1 1
0.3295678595 1.0000000000
2 0 0 1 1
0.7409205501 1.0000000000
3 0 0 1 1
2.8392424897 1.0000000000
4 0 0 1 1
13.2708394753 1.0000000000
5 0 0 1 1
49.3914335416 1.0000000000
6 0 0 1 1
178.7905615507 1.0000000000
7 0 0 1 1
644.4925982230 1.0000000000
8 1 1 1 1
0.3363577921 1.0000000000
9 1 1 1 1
0.9280791570 1.0000000000
10 1 1 1 1
3.2177943742 1.0000000000
11 1 1 1 1
10.9576189577 1.0000000000
12 1 1 1 1
35.7099363336 1.0000000000
13 1 1 1 1
116.3930308876 1.0000000000
14 2 2 1 1
0.4115051921 1.0000000000
15 2 2 1 1
0.9070990533 1.0000000000
16 2 2 1 1
2.9144130953 1.0000000000
17 2 2 1 1
8.9806924875 1.0000000000
18 2 2 1 1
27.7586310253 1.0000000000
19 3 3 1 1
0.8019124675 1.0000000000
20 3 3 1 1
2.1235315495 1.0000000000
21 3 3 1 1
6.3265861866 1.0000000000
22 3 3 1 1
18.4503214145 1.0000000000
23 4 4 1 1
1.0454999788 1.0000000000
24 4 4 1 1
2.6364131258 1.0000000000
25 4 4 1 1
8.2125135635 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 4.5e-02
F RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_4.5e-02
9
1 0 0 1 1
0.6043351338 1.0000000000
2 0 0 1 1
4.1263259368 1.0000000000
3 0 0 1 1
28.1854824009 1.0000000000
4 0 0 1 1
192.5063246533 1.0000000000
5 1 1 1 1
1.5794244059 1.0000000000
6 1 1 1 1
3.2236124028 1.0000000000
7 1 1 1 1
17.3100315128 1.0000000000
8 2 2 1 1
2.4457386745 1.0000000000
9 3 3 1 1
2.9286689087 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.0e-02
F RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_4_3_2_1_0_0_0_error_2.0e-02
10
1 0 0 1 1
0.5805940289 1.0000000000
2 0 0 1 1
3.1675558546 1.0000000000
3 0 0 1 1
25.3348413614 1.0000000000
4 0 0 1 1
169.1123811744 1.0000000000
5 1 1 1 1
1.1548184263 1.0000000000
6 1 1 1 1
2.7581469510 1.0000000000
7 1 1 1 1
20.3883108629 1.0000000000
8 2 2 1 1
1.2007819906 1.0000000000
9 2 2 1 1
4.7129243457 1.0000000000
10 3 3 1 1
2.6218953220 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 7.7e-03
F RI_aug-TZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_4_3_2_1_1_0_0_error_7.7e-03
11
1 0 0 1 1
1.1039745150 1.0000000000
2 0 0 1 1
1.7043847320 1.0000000000
3 0 0 1 1
15.0659123396 1.0000000000
4 0 0 1 1
188.4702782241 1.0000000000
5 1 1 1 1
1.2484239075 1.0000000000
6 1 1 1 1
2.5447504426 1.0000000000
7 1 1 1 1
20.2620411338 1.0000000000
8 2 2 1 1
1.4211381486 1.0000000000
9 2 2 1 1
4.5795761940 1.0000000000
10 3 3 1 1
2.1571863826 1.0000000000
11 4 4 1 1
2.1941646423 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 3.7e-03
F RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_3.7e-03
14
1 0 0 1 1
0.1699094514 1.0000000000
2 0 0 1 1
0.9250819525 1.0000000000
3 0 0 1 1
3.0470359004 1.0000000000
4 0 0 1 1
10.9984245580 1.0000000000
5 0 0 1 1
48.7436795027 1.0000000000
6 0 0 1 1
213.0718272028 1.0000000000
7 1 1 1 1
1.0456873731 1.0000000000
8 1 1 1 1
3.3240423482 1.0000000000
9 1 1 1 1
27.7645190576 1.0000000000
10 2 2 1 1
1.3791686743 1.0000000000
11 2 2 1 1
4.5293843080 1.0000000000
12 3 3 1 1
1.4705804445 1.0000000000
13 3 3 1 1
6.0711901327 1.0000000000
14 4 4 1 1
1.9577130841 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 1.5e-03
F RI_aug-TZVP-MOLOPT-ae_N_RI_062_s_p_d_f_g_h_i_6_4_2_2_1_1_0_error_1.5e-03
16
1 0 0 1 1
0.1516497867 1.0000000000
2 0 0 1 1
0.6726916282 1.0000000000
3 0 0 1 1
2.7551155299 1.0000000000
4 0 0 1 1
11.6094589634 1.0000000000
5 0 0 1 1
49.7967003038 1.0000000000
6 0 0 1 1
213.2229211837 1.0000000000
7 1 1 1 1
0.9321967540 1.0000000000
8 1 1 1 1
2.3033896482 1.0000000000
9 1 1 1 1
7.6339448602 1.0000000000
10 1 1 1 1
29.2179291885 1.0000000000
11 2 2 1 1
1.4032339390 1.0000000000
12 2 2 1 1
4.4822635826 1.0000000000
13 3 3 1 1
1.5922590442 1.0000000000
14 3 3 1 1
5.8686148438 1.0000000000
15 4 4 1 1
2.0282465168 1.0000000000
16 5 5 1 1
2.3914561801 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 3.1e-04
F RI_aug-TZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_6_5_3_2_1_1_0_error_3.1e-04
18
1 0 0 1 1
0.4341918002 1.0000000000
2 0 0 1 1
0.9966189845 1.0000000000
3 0 0 1 1
3.3822900838 1.0000000000
4 0 0 1 1
14.7048413680 1.0000000000
5 0 0 1 1
57.0881677000 1.0000000000
6 0 0 1 1
214.4386786799 1.0000000000
7 1 1 1 1
0.4990199534 1.0000000000
8 1 1 1 1
1.2539682430 1.0000000000
9 1 1 1 1
3.9619371622 1.0000000000
10 1 1 1 1
13.0010465652 1.0000000000
11 1 1 1 1
39.0148213887 1.0000000000
12 2 2 1 1
0.8099087384 1.0000000000
13 2 2 1 1
1.5908235805 1.0000000000
14 2 2 1 1
6.7955081986 1.0000000000
15 3 3 1 1
1.6926574641 1.0000000000
16 3 3 1 1
5.9420593159 1.0000000000
17 4 4 1 1
2.2251822678 1.0000000000
18 5 5 1 1
2.2858043998 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 1.4e-04
F RI_aug-TZVP-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_5_4_2_2_1_0_error_1.4e-04
21
1 0 0 1 1
0.4344649413 1.0000000000
2 0 0 1 1
0.9770593536 1.0000000000
3 0 0 1 1
2.5531559995 1.0000000000
4 0 0 1 1
7.5266100049 1.0000000000
5 0 0 1 1
23.3467627371 1.0000000000
6 0 0 1 1
71.1405872436 1.0000000000
7 0 0 1 1
214.3494585792 1.0000000000
8 1 1 1 1
0.5538129231 1.0000000000
9 1 1 1 1
1.1336818302 1.0000000000
10 1 1 1 1
3.5900260340 1.0000000000
11 1 1 1 1
12.5875654827 1.0000000000
12 1 1 1 1
38.6371199804 1.0000000000
13 2 2 1 1
0.5418656345 1.0000000000
14 2 2 1 1
1.2961294033 1.0000000000
15 2 2 1 1
2.7852916243 1.0000000000
16 2 2 1 1
8.4185126285 1.0000000000
17 3 3 1 1
1.6931406115 1.0000000000
18 3 3 1 1
5.9141035128 1.0000000000
19 4 4 1 1
1.2392533637 1.0000000000
20 4 4 1 1
3.1751830516 1.0000000000
21 5 5 1 1
2.2769874868 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 2.5e-05
F RI_aug-TZVP-MOLOPT-ae_N_RI_092_s_p_d_f_g_h_i_7_5_4_3_2_1_0_error_2.5e-05
22
1 0 0 1 1
0.4010198869 1.0000000000
2 0 0 1 1
1.1232886397 1.0000000000
3 0 0 1 1
2.3230418851 1.0000000000
4 0 0 1 1
6.1700821511 1.0000000000
5 0 0 1 1
20.6749546189 1.0000000000
6 0 0 1 1
67.9058735280 1.0000000000
7 0 0 1 1
211.0314644356 1.0000000000
8 1 1 1 1
0.4473513341 1.0000000000
9 1 1 1 1
1.3719406999 1.0000000000
10 1 1 1 1
3.9235700582 1.0000000000
11 1 1 1 1
11.9783104583 1.0000000000
12 1 1 1 1
37.0993227808 1.0000000000
13 2 2 1 1
0.6380579475 1.0000000000
14 2 2 1 1
1.3752713525 1.0000000000
15 2 2 1 1
3.0305908393 1.0000000000
16 2 2 1 1
8.8951684001 1.0000000000
17 3 3 1 1
0.6704623423 1.0000000000
18 3 3 1 1
1.9384185814 1.0000000000
19 3 3 1 1
7.2881693204 1.0000000000
20 4 4 1 1
0.7346886504 1.0000000000
21 4 4 1 1
2.3343617433 1.0000000000
22 5 5 1 1
2.5990780387 1.0000000000
# RI basis set for F (all-electron) relative DI metric: 1.0e-05
F RI_aug-TZVP-MOLOPT-ae_N_RI_109_s_p_d_f_g_h_i_7_6_5_3_3_1_0_error_1.0e-05
25
1 0 0 1 1
0.3993525300 1.0000000000
2 0 0 1 1
1.0750833316 1.0000000000
3 0 0 1 1
2.0646674590 1.0000000000
4 0 0 1 1
6.0422927442 1.0000000000
5 0 0 1 1
20.2512555222 1.0000000000
6 0 0 1 1
67.3386263306 1.0000000000
7 0 0 1 1
210.4491507864 1.0000000000
8 1 1 1 1
0.4189286013 1.0000000000
9 1 1 1 1
1.4928588773 1.0000000000
10 1 1 1 1
2.4584046203 1.0000000000
11 1 1 1 1
6.0373979321 1.0000000000
12 1 1 1 1
15.2424059187 1.0000000000
13 1 1 1 1
37.9629445325 1.0000000000
14 2 2 1 1
0.4324477958 1.0000000000
15 2 2 1 1
0.8518020478 1.0000000000
16 2 2 1 1
1.9570861292 1.0000000000
17 2 2 1 1
4.8360420376 1.0000000000
18 2 2 1 1
11.2723144799 1.0000000000
19 3 3 1 1
0.6447238850 1.0000000000
20 3 3 1 1
2.0307889627 1.0000000000
21 3 3 1 1
7.8231635966 1.0000000000
22 4 4 1 1
0.9094668469 1.0000000000
23 4 4 1 1
1.8491013286 1.0000000000
24 4 4 1 1
3.6688259104 1.0000000000
25 5 5 1 1
2.6911348806 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 4.6e-02
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_4.6e-02
3
1 0 0 1 1
0.4396430870 1.0000000000
2 0 0 1 1
2.6397826698 1.0000000000
3 1 1 1 1
7.7663691038 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.2e-02
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_010_s_p_d_f_g_h_i_2_1_1_0_0_0_0_error_1.2e-02
4
1 0 0 1 1
0.6470235460 1.0000000000
2 0 0 1 1
4.9119856195 1.0000000000
3 1 1 1 1
7.8247632026 1.0000000000
4 2 2 1 1
10.6951494256 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 5.5e-03
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_5.5e-03
6
1 0 0 1 1
0.7202455931 1.0000000000
2 0 0 1 1
1.6316110087 1.0000000000
3 0 0 1 1
5.6562968091 1.0000000000
4 1 1 1 1
1.4836758343 1.0000000000
5 1 1 1 1
3.1235290951 1.0000000000
6 2 2 1 1
10.6900477387 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.9e-04
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_2.9e-04
7
1 0 0 1 1
1.1074553342 1.0000000000
2 0 0 1 1
3.2945011426 1.0000000000
3 0 0 1 1
7.2844895175 1.0000000000
4 1 1 1 1
0.8946013757 1.0000000000
5 1 1 1 1
4.4490962921 1.0000000000
6 2 2 1 1
1.4396420776 1.0000000000
7 2 2 1 1
6.4182032895 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 8.5e-05
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_022_s_p_d_f_g_h_i_6_2_2_0_0_0_0_error_8.5e-05
10
1 0 0 1 1
0.4922546259 1.0000000000
2 0 0 1 1
0.9617512476 1.0000000000
3 0 0 1 1
1.8842364269 1.0000000000
4 0 0 1 1
3.6627483787 1.0000000000
5 0 0 1 1
7.0732518963 1.0000000000
6 0 0 1 1
13.6954045742 1.0000000000
7 1 1 1 1
1.5239328532 1.0000000000
8 1 1 1 1
3.1079871667 1.0000000000
9 2 2 1 1
1.3856095335 1.0000000000
10 2 2 1 1
6.9552605104 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 5.6e-06
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_5.6e-06
11
1 0 0 1 1
0.4615951456 1.0000000000
2 0 0 1 1
0.8519527537 1.0000000000
3 0 0 1 1
1.8240149790 1.0000000000
4 0 0 1 1
3.8621946903 1.0000000000
5 0 0 1 1
6.9804997151 1.0000000000
6 0 0 1 1
12.9753826580 1.0000000000
7 1 1 1 1
0.8739951430 1.0000000000
8 1 1 1 1
1.9452087650 1.0000000000
9 1 1 1 1
4.3293574365 1.0000000000
10 2 2 1 1
1.3929514592 1.0000000000
11 2 2 1 1
6.9716018890 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.3e-06
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_030_s_p_d_f_g_h_i_6_3_3_0_0_0_0_error_1.3e-06
12
1 0 0 1 1
0.4741939914 1.0000000000
2 0 0 1 1
0.8824751469 1.0000000000
3 0 0 1 1
1.8394572601 1.0000000000
4 0 0 1 1
3.8108846344 1.0000000000
5 0 0 1 1
7.0210828182 1.0000000000
6 0 0 1 1
13.1978915379 1.0000000000
7 1 1 1 1
0.9266870276 1.0000000000
8 1 1 1 1
1.4423233229 1.0000000000
9 1 1 1 1
4.2651945220 1.0000000000
10 2 2 1 1
1.5145489782 1.0000000000
11 2 2 1 1
3.2176975373 1.0000000000
12 2 2 1 1
8.4938858380 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 6.5e-07
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_6.5e-07
15
1 0 0 1 1
0.4997512165 1.0000000000
2 0 0 1 1
0.8685208982 1.0000000000
3 0 0 1 1
1.5080317711 1.0000000000
4 0 0 1 1
2.6154691323 1.0000000000
5 0 0 1 1
4.5462249578 1.0000000000
6 0 0 1 1
7.8868272336 1.0000000000
7 0 0 1 1
13.6690873913 1.0000000000
8 1 1 1 1
0.5024152010 1.0000000000
9 1 1 1 1
1.1443132358 1.0000000000
10 1 1 1 1
2.6123894548 1.0000000000
11 1 1 1 1
6.0004446902 1.0000000000
12 1 1 1 1
13.7385350501 1.0000000000
13 2 2 1 1
1.6530669972 1.0000000000
14 2 2 1 1
3.0330711708 1.0000000000
15 2 2 1 1
8.1910779146 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.4e-08
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.4e-08
16
1 0 0 1 1
0.5000000000 1.0000000000
2 0 0 1 1
0.8686132474 1.0000000000
3 0 0 1 1
1.5089779472 1.0000000000
4 0 0 1 1
2.6214364701 1.0000000000
5 0 0 1 1
4.5540288904 1.0000000000
6 0 0 1 1
7.9113796468 1.0000000000
7 0 0 1 1
13.7438583334 1.0000000000
8 1 1 1 1
0.5000000005 1.0000000000
9 1 1 1 1
1.1448660336 1.0000000000
10 1 1 1 1
2.6214364683 1.0000000000
11 1 1 1 1
6.0023871476 1.0000000000
12 1 1 1 1
13.7438583323 1.0000000000
13 2 2 1 1
0.5000000000 1.0000000000
14 2 2 1 1
1.5089779476 1.0000000000
15 2 2 1 1
4.5540288920 1.0000000000
16 2 2 1 1
13.7438583291 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.7e-09
Ne RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_1.7e-09
17
1 0 0 1 1
0.5000000000 1.0000000000
2 0 0 1 1
0.8686132474 1.0000000000
3 0 0 1 1
1.5089779472 1.0000000000
4 0 0 1 1
2.6214364701 1.0000000000
5 0 0 1 1
4.5540288904 1.0000000000
6 0 0 1 1
7.9113796468 1.0000000000
7 0 0 1 1
13.7438583334 1.0000000000
8 1 1 1 1
0.5000000000 1.0000000000
9 1 1 1 1
0.9700580801 1.0000000000
10 1 1 1 1
1.8820253574 1.0000000000
11 1 1 1 1
3.6513478097 1.0000000000
12 1 1 1 1
7.0840388920 1.0000000000
13 1 1 1 1
13.7438583333 1.0000000000
14 2 2 1 1
0.5000000000 1.0000000000
15 2 2 1 1
1.5089779476 1.0000000000
16 2 2 1 1
4.5540288920 1.0000000000
17 2 2 1 1
13.7438583291 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 4.6e-02
Ne RI_aug-SZV-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_4.6e-02
7
1 0 0 1 1
0.4540627374 1.0000000000
2 0 0 1 1
3.4508094502 1.0000000000
3 0 0 1 1
12.0238601291 1.0000000000
4 0 0 1 1
248.1712426934 1.0000000000
5 1 1 1 1
0.5030588809 1.0000000000
6 1 1 1 1
1.5898694713 1.0000000000
7 1 1 1 1
4.7178484985 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 5.4e-03
Ne RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_5.4e-03
9
1 0 0 1 1
1.1145936046 1.0000000000
2 0 0 1 1
4.0188134116 1.0000000000
3 0 0 1 1
32.5557548284 1.0000000000
4 0 0 1 1
248.8228593829 1.0000000000
5 1 1 1 1
1.5706780221 1.0000000000
6 1 1 1 1
3.6813352420 1.0000000000
7 1 1 1 1
44.5237683165 1.0000000000
8 2 2 1 1
1.3675624022 1.0000000000
9 2 2 1 1
7.9367141797 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 4.7e-04
Ne RI_aug-SZV-MOLOPT-ae_N_RI_032_s_p_d_f_g_h_i_6_3_2_1_0_0_0_error_4.7e-04
12
1 0 0 1 1
0.7666056024 1.0000000000
2 0 0 1 1
1.2854170316 1.0000000000
3 0 0 1 1
3.6886329222 1.0000000000
4 0 0 1 1
17.0760387666 1.0000000000
5 0 0 1 1
70.9275776754 1.0000000000
6 0 0 1 1
269.4630211098 1.0000000000
7 1 1 1 1
0.9026747802 1.0000000000
8 1 1 1 1
4.9007131058 1.0000000000
9 1 1 1 1
29.3209579190 1.0000000000
10 2 2 1 1
1.4036427268 1.0000000000
11 2 2 1 1
8.6385981645 1.0000000000
12 3 3 1 1
1.3996533273 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.2e-04
Ne RI_aug-SZV-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_2.2e-04
13
1 0 0 1 1
0.6442025605 1.0000000000
2 0 0 1 1
1.2354169696 1.0000000000
3 0 0 1 1
3.9651382454 1.0000000000
4 0 0 1 1
18.0643184694 1.0000000000
5 0 0 1 1
71.5281229650 1.0000000000
6 0 0 1 1
269.9284827237 1.0000000000
7 1 1 1 1
1.0026561086 1.0000000000
8 1 1 1 1
3.5962096683 1.0000000000
9 1 1 1 1
12.2121702891 1.0000000000
10 1 1 1 1
39.8518908918 1.0000000000
11 2 2 1 1
1.4218008058 1.0000000000
12 2 2 1 1
8.7349231287 1.0000000000
13 3 3 1 1
1.4750730154 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 6.4e-05
Ne RI_aug-SZV-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_7_5_2_1_0_0_0_error_6.4e-05
15
1 0 0 1 1
0.3517191181 1.0000000000
2 0 0 1 1
1.0032685659 1.0000000000
3 0 0 1 1
3.0005862499 1.0000000000
4 0 0 1 1
9.9828612436 1.0000000000
5 0 0 1 1
30.1588493449 1.0000000000
6 0 0 1 1
90.2858368531 1.0000000000
7 0 0 1 1
270.9531472332 1.0000000000
8 1 1 1 1
0.9292162129 1.0000000000
9 1 1 1 1
1.5753619232 1.0000000000
10 1 1 1 1
4.5694253686 1.0000000000
11 1 1 1 1
16.3851427408 1.0000000000
12 1 1 1 1
49.1629139374 1.0000000000
13 2 2 1 1
1.4544881490 1.0000000000
14 2 2 1 1
8.8893425686 1.0000000000
15 3 3 1 1
1.3228713604 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.4e-05
Ne RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_2.4e-05
16
1 0 0 1 1
0.4728115665 1.0000000000
2 0 0 1 1
0.9909011671 1.0000000000
3 0 0 1 1
2.8374191907 1.0000000000
4 0 0 1 1
9.8663550345 1.0000000000
5 0 0 1 1
30.1404072672 1.0000000000
6 0 0 1 1
90.2394481398 1.0000000000
7 0 0 1 1
270.8865117863 1.0000000000
8 1 1 1 1
0.7464916145 1.0000000000
9 1 1 1 1
1.4393031805 1.0000000000
10 1 1 1 1
4.2520972844 1.0000000000
11 1 1 1 1
16.0555654645 1.0000000000
12 1 1 1 1
48.9264656153 1.0000000000
13 2 2 1 1
1.0494944895 1.0000000000
14 2 2 1 1
2.3951395854 1.0000000000
15 2 2 1 1
6.3360734649 1.0000000000
16 3 3 1 1
1.3704206901 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.2e-05
Ne RI_aug-SZV-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_7_6_4_1_0_0_0_error_1.2e-05
18
1 0 0 1 1
0.4369762147 1.0000000000
2 0 0 1 1
1.0948867866 1.0000000000
3 0 0 1 1
3.1767659013 1.0000000000
4 0 0 1 1
9.9653088337 1.0000000000
5 0 0 1 1
30.0894190021 1.0000000000
6 0 0 1 1
90.2374412034 1.0000000000
7 0 0 1 1
270.9018327202 1.0000000000
8 1 1 1 1
0.2812122414 1.0000000000
9 1 1 1 1
0.9251692692 1.0000000000
10 1 1 1 1
2.0262847979 1.0000000000
11 1 1 1 1
4.5858712127 1.0000000000
12 1 1 1 1
16.9499778041 1.0000000000
13 1 1 1 1
49.5404497714 1.0000000000
14 2 2 1 1
0.1306624678 1.0000000000
15 2 2 1 1
0.4930571299 1.0000000000
16 2 2 1 1
1.8605587384 1.0000000000
17 2 2 1 1
7.0208546765 1.0000000000
18 3 3 1 1
1.3842971113 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 3.5e-06
Ne RI_aug-SZV-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_3.5e-06
19
1 0 0 1 1
0.6755892288 1.0000000000
2 0 0 1 1
1.1846505119 1.0000000000
3 0 0 1 1
2.8655028492 1.0000000000
4 0 0 1 1
9.6664574627 1.0000000000
5 0 0 1 1
29.9290700239 1.0000000000
6 0 0 1 1
90.0069345091 1.0000000000
7 0 0 1 1
270.6513437481 1.0000000000
8 1 1 1 1
1.0080454395 1.0000000000
9 1 1 1 1
1.2585667998 1.0000000000
10 1 1 1 1
3.1923992245 1.0000000000
11 1 1 1 1
8.8040205177 1.0000000000
12 1 1 1 1
20.7571384030 1.0000000000
13 1 1 1 1
49.1716634163 1.0000000000
14 2 2 1 1
0.7055125536 1.0000000000
15 2 2 1 1
1.5944903875 1.0000000000
16 2 2 1 1
4.1924538998 1.0000000000
17 2 2 1 1
10.3401603487 1.0000000000
18 3 3 1 1
1.1874047171 1.0000000000
19 3 3 1 1
7.1577113915 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 9.4e-07
Ne RI_aug-SZV-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_7_6_5_2_0_0_0_error_9.4e-07
20
1 0 0 1 1
0.6609948708 1.0000000000
2 0 0 1 1
1.1586669103 1.0000000000
3 0 0 1 1
3.0690972062 1.0000000000
4 0 0 1 1
9.6957425652 1.0000000000
5 0 0 1 1
29.8174288884 1.0000000000
6 0 0 1 1
89.9741894853 1.0000000000
7 0 0 1 1
270.6095368855 1.0000000000
8 1 1 1 1
0.7129930635 1.0000000000
9 1 1 1 1
1.2195701554 1.0000000000
10 1 1 1 1
3.1876365832 1.0000000000
11 1 1 1 1
8.6716048834 1.0000000000
12 1 1 1 1
20.5623456675 1.0000000000
13 1 1 1 1
49.1034189653 1.0000000000
14 2 2 1 1
0.4590190245 1.0000000000
15 2 2 1 1
1.0526751450 1.0000000000
16 2 2 1 1
2.1517352975 1.0000000000
17 2 2 1 1
4.7751549264 1.0000000000
18 2 2 1 1
12.2227525783 1.0000000000
19 3 3 1 1
1.1305666988 1.0000000000
20 3 3 1 1
4.8368320762 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 3.7e-07
Ne RI_aug-SZV-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_3.7e-07
22
1 0 0 1 1
0.5026298359 1.0000000000
2 0 0 1 1
1.1688355406 1.0000000000
3 0 0 1 1
3.3869599965 1.0000000000
4 0 0 1 1
9.9405994859 1.0000000000
5 0 0 1 1
29.9773413125 1.0000000000
6 0 0 1 1
90.1673653221 1.0000000000
7 0 0 1 1
270.8229540199 1.0000000000
8 1 1 1 1
0.6363648950 1.0000000000
9 1 1 1 1
1.5523515755 1.0000000000
10 1 1 1 1
3.6944925545 1.0000000000
11 1 1 1 1
8.8486509354 1.0000000000
12 1 1 1 1
20.9052834365 1.0000000000
13 1 1 1 1
49.4337699409 1.0000000000
14 2 2 1 1
0.4517495690 1.0000000000
15 2 2 1 1
1.0150381481 1.0000000000
16 2 2 1 1
2.2576725711 1.0000000000
17 2 2 1 1
5.0682245437 1.0000000000
18 2 2 1 1
11.5877595443 1.0000000000
19 3 3 1 1
0.9571282230 1.0000000000
20 3 3 1 1
2.0372817062 1.0000000000
21 3 3 1 1
4.0318374206 1.0000000000
22 3 3 1 1
8.0136192364 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.5e-02
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_2.5e-02
8
1 0 0 1 1
0.7946571730 1.0000000000
2 0 0 1 1
3.7813309102 1.0000000000
3 0 0 1 1
22.6099094942 1.0000000000
4 0 0 1 1
120.5404341233 1.0000000000
5 1 1 1 1
0.8197061664 1.0000000000
6 1 1 1 1
7.5286844839 1.0000000000
7 2 2 1 1
1.2621129891 1.0000000000
8 2 2 1 1
8.5613192368 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.1e-03
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_2.1e-03
11
1 0 0 1 1
0.1818778048 1.0000000000
2 0 0 1 1
0.7626334785 1.0000000000
3 0 0 1 1
3.1977341727 1.0000000000
4 0 0 1 1
13.4078188337 1.0000000000
5 0 0 1 1
56.2193774590 1.0000000000
6 0 0 1 1
235.7293034077 1.0000000000
7 1 1 1 1
1.2831535621 1.0000000000
8 1 1 1 1
4.9983907726 1.0000000000
9 2 2 1 1
1.7956420224 1.0000000000
10 2 2 1 1
7.0601713055 1.0000000000
11 3 3 1 1
1.9172489113 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 9.2e-04
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_035_s_p_d_f_g_h_i_6_4_2_1_0_0_0_error_9.2e-04
13
1 0 0 1 1
0.1843398200 1.0000000000
2 0 0 1 1
0.7897250611 1.0000000000
3 0 0 1 1
3.3831444608 1.0000000000
4 0 0 1 1
14.4930602914 1.0000000000
5 0 0 1 1
62.0885704379 1.0000000000
6 0 0 1 1
265.9876329545 1.0000000000
7 1 1 1 1
0.8503666325 1.0000000000
8 1 1 1 1
1.9256375040 1.0000000000
9 1 1 1 1
8.2382918692 1.0000000000
10 1 1 1 1
45.4813975727 1.0000000000
11 2 2 1 1
1.7866349016 1.0000000000
12 2 2 1 1
7.3226593049 1.0000000000
13 3 3 1 1
1.9468669080 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.8e-04
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_040_s_p_d_f_g_h_i_6_4_3_1_0_0_0_error_2.8e-04
14
1 0 0 1 1
0.5520052279 1.0000000000
2 0 0 1 1
1.4954573529 1.0000000000
3 0 0 1 1
5.4064121132 1.0000000000
4 0 0 1 1
19.1783079475 1.0000000000
5 0 0 1 1
72.1811210814 1.0000000000
6 0 0 1 1
270.7185862421 1.0000000000
7 1 1 1 1
0.9424987478 1.0000000000
8 1 1 1 1
2.3334430124 1.0000000000
9 1 1 1 1
7.9526482931 1.0000000000
10 1 1 1 1
26.9217125612 1.0000000000
11 2 2 1 1
0.8418415987 1.0000000000
12 2 2 1 1
2.0636381596 1.0000000000
13 2 2 1 1
10.7481957881 1.0000000000
14 3 3 1 1
1.6711478410 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 7.3e-05
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_7.3e-05
15
1 0 0 1 1
0.5030684302 1.0000000000
2 0 0 1 1
1.2335651213 1.0000000000
3 0 0 1 1
4.2702949056 1.0000000000
4 0 0 1 1
18.4050512939 1.0000000000
5 0 0 1 1
71.7530571959 1.0000000000
6 0 0 1 1
270.2053159208 1.0000000000
7 1 1 1 1
0.6382315084 1.0000000000
8 1 1 1 1
1.2298412518 1.0000000000
9 1 1 1 1
4.3860294350 1.0000000000
10 1 1 1 1
13.4891310461 1.0000000000
11 1 1 1 1
46.7950398653 1.0000000000
12 2 2 1 1
0.7213821990 1.0000000000
13 2 2 1 1
1.9304649556 1.0000000000
14 2 2 1 1
10.4160573710 1.0000000000
15 3 3 1 1
1.9214450206 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.3e-05
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_7_6_3_2_0_0_0_error_2.3e-05
18
1 0 0 1 1
0.4695435949 1.0000000000
2 0 0 1 1
1.1404303096 1.0000000000
3 0 0 1 1
3.2966769928 1.0000000000
4 0 0 1 1
9.8962311494 1.0000000000
5 0 0 1 1
29.9839831081 1.0000000000
6 0 0 1 1
90.1608271127 1.0000000000
7 0 0 1 1
270.8062408705 1.0000000000
8 1 1 1 1
0.4887997525 1.0000000000
9 1 1 1 1
1.2538346110 1.0000000000
10 1 1 1 1
3.4293442223 1.0000000000
11 1 1 1 1
8.3316723744 1.0000000000
12 1 1 1 1
20.4585827317 1.0000000000
13 1 1 1 1
49.0357896851 1.0000000000
14 2 2 1 1
0.6201554542 1.0000000000
15 2 2 1 1
2.0430375461 1.0000000000
16 2 2 1 1
11.0808712388 1.0000000000
17 3 3 1 1
0.8262580108 1.0000000000
18 3 3 1 1
2.7739076724 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.1e-05
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.1e-05
19
1 0 0 1 1
0.4640993045 1.0000000000
2 0 0 1 1
1.1423423224 1.0000000000
3 0 0 1 1
3.2820685577 1.0000000000
4 0 0 1 1
9.9345847941 1.0000000000
5 0 0 1 1
30.0105626896 1.0000000000
6 0 0 1 1
90.1709949774 1.0000000000
7 0 0 1 1
270.8270591458 1.0000000000
8 1 1 1 1
0.5283259145 1.0000000000
9 1 1 1 1
1.2557236228 1.0000000000
10 1 1 1 1
3.4232747943 1.0000000000
11 1 1 1 1
8.3539712034 1.0000000000
12 1 1 1 1
20.4689959272 1.0000000000
13 1 1 1 1
49.0424456261 1.0000000000
14 2 2 1 1
0.6087514080 1.0000000000
15 2 2 1 1
2.0342104293 1.0000000000
16 2 2 1 1
10.7624080111 1.0000000000
17 3 3 1 1
0.9399108136 1.0000000000
18 3 3 1 1
2.9208573775 1.0000000000
19 4 4 1 1
2.6885512306 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.9e-06
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.9e-06
21
1 0 0 1 1
0.4202772000 1.0000000000
2 0 0 1 1
1.1896827660 1.0000000000
3 0 0 1 1
3.2708109825 1.0000000000
4 0 0 1 1
9.2818145563 1.0000000000
5 0 0 1 1
29.5144374926 1.0000000000
6 0 0 1 1
89.7658224694 1.0000000000
7 0 0 1 1
270.2921635114 1.0000000000
8 1 1 1 1
0.3681264522 1.0000000000
9 1 1 1 1
1.2988783152 1.0000000000
10 1 1 1 1
3.2671159309 1.0000000000
11 1 1 1 1
7.9992310551 1.0000000000
12 1 1 1 1
20.3965536002 1.0000000000
13 1 1 1 1
49.1101992213 1.0000000000
14 2 2 1 1
0.5536955735 1.0000000000
15 2 2 1 1
1.6440303283 1.0000000000
16 2 2 1 1
3.9215473771 1.0000000000
17 2 2 1 1
12.5470935556 1.0000000000
18 3 3 1 1
0.4907125176 1.0000000000
19 3 3 1 1
1.8429770236 1.0000000000
20 3 3 1 1
5.9896552346 1.0000000000
21 4 4 1 1
0.9492710411 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 9.0e-07
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_087_s_p_d_f_g_h_i_7_6_5_4_1_0_0_error_9.0e-07
23
1 0 0 1 1
0.4442980251 1.0000000000
2 0 0 1 1
1.2366018221 1.0000000000
3 0 0 1 1
3.3100825195 1.0000000000
4 0 0 1 1
8.2129947535 1.0000000000
5 0 0 1 1
28.4100123214 1.0000000000
6 0 0 1 1
88.9347957964 1.0000000000
7 0 0 1 1
269.2984672186 1.0000000000
8 1 1 1 1
0.3480172209 1.0000000000
9 1 1 1 1
0.9481582464 1.0000000000
10 1 1 1 1
1.7381779139 1.0000000000
11 1 1 1 1
4.3875649500 1.0000000000
12 1 1 1 1
11.2111330391 1.0000000000
13 1 1 1 1
45.7300632666 1.0000000000
14 2 2 1 1
0.5362266126 1.0000000000
15 2 2 1 1
1.0008106068 1.0000000000
16 2 2 1 1
2.2779034543 1.0000000000
17 2 2 1 1
4.8121575794 1.0000000000
18 2 2 1 1
14.0453005934 1.0000000000
19 3 3 1 1
0.4719734430 1.0000000000
20 3 3 1 1
1.3736723829 1.0000000000
21 3 3 1 1
3.3016974290 1.0000000000
22 3 3 1 1
7.7985832589 1.0000000000
23 4 4 1 1
1.1401915323 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 3.3e-07
Ne RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_6_6_6_2_0_0_error_3.3e-07
27
1 0 0 1 1
0.3933140805 1.0000000000
2 0 0 1 1
1.2570823851 1.0000000000
3 0 0 1 1
2.8007638992 1.0000000000
4 0 0 1 1
7.6748782256 1.0000000000
5 0 0 1 1
27.7561466144 1.0000000000
6 0 0 1 1
88.3396082750 1.0000000000
7 0 0 1 1
268.5817092000 1.0000000000
8 1 1 1 1
0.3701625588 1.0000000000
9 1 1 1 1
1.2187377276 1.0000000000
10 1 1 1 1
1.8602058581 1.0000000000
11 1 1 1 1
4.7128998466 1.0000000000
12 1 1 1 1
15.8946091097 1.0000000000
13 1 1 1 1
48.8654570141 1.0000000000
14 2 2 1 1
0.4266648268 1.0000000000
15 2 2 1 1
0.8566308763 1.0000000000
16 2 2 1 1
1.7832048114 1.0000000000
17 2 2 1 1
3.4655614332 1.0000000000
18 2 2 1 1
6.6094290402 1.0000000000
19 2 2 1 1
16.7296963984 1.0000000000
20 3 3 1 1
0.4162255575 1.0000000000
21 3 3 1 1
1.2394359884 1.0000000000
22 3 3 1 1
2.0946195182 1.0000000000
23 3 3 1 1
5.1173724886 1.0000000000
24 3 3 1 1
10.7909257787 1.0000000000
25 3 3 1 1
23.0934338936 1.0000000000
26 4 4 1 1
0.7767254350 1.0000000000
27 4 4 1 1
3.4191739506 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.0e-02
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_6_2_2_1_0_0_0_error_2.0e-02
11
1 0 0 1 1
0.7437104806 1.0000000000
2 0 0 1 1
1.6377060400 1.0000000000
3 0 0 1 1
5.4216491061 1.0000000000
4 0 0 1 1
17.8648897168 1.0000000000
5 0 0 1 1
70.7470901890 1.0000000000
6 0 0 1 1
269.2650634749 1.0000000000
7 1 1 1 1
1.6899358353 1.0000000000
8 1 1 1 1
3.4679880125 1.0000000000
9 2 2 1 1
1.9856723653 1.0000000000
10 2 2 1 1
8.3152129005 1.0000000000
11 3 3 1 1
4.2793240118 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.0e-02
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_3_2_2_0_0_0_error_1.0e-02
13
1 0 0 1 1
0.2047592637 1.0000000000
2 0 0 1 1
0.9189252249 1.0000000000
3 0 0 1 1
3.2732950110 1.0000000000
4 0 0 1 1
13.5623763957 1.0000000000
5 0 0 1 1
60.6886467147 1.0000000000
6 0 0 1 1
264.5752683689 1.0000000000
7 1 1 1 1
1.0371611983 1.0000000000
8 1 1 1 1
2.8585249484 1.0000000000
9 1 1 1 1
6.1196896520 1.0000000000
10 2 2 1 1
1.8584783718 1.0000000000
11 2 2 1 1
7.3935965758 1.0000000000
12 3 3 1 1
1.6283490419 1.0000000000
13 3 3 1 1
5.4450970581 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 3.5e-03
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_6_3_2_2_1_0_0_error_3.5e-03
14
1 0 0 1 1
0.2019428740 1.0000000000
2 0 0 1 1
1.0869212167 1.0000000000
3 0 0 1 1
2.2354579893 1.0000000000
4 0 0 1 1
10.4956014537 1.0000000000
5 0 0 1 1
56.7884250848 1.0000000000
6 0 0 1 1
262.9848789341 1.0000000000
7 1 1 1 1
1.0625440891 1.0000000000
8 1 1 1 1
2.5500061729 1.0000000000
9 1 1 1 1
6.0758145865 1.0000000000
10 2 2 1 1
2.1320718184 1.0000000000
11 2 2 1 1
5.5012688025 1.0000000000
12 3 3 1 1
1.6329303585 1.0000000000
13 3 3 1 1
5.5664604624 1.0000000000
14 4 4 1 1
4.4844153752 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.2e-03
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_6_4_3_2_1_0_0_error_1.2e-03
16
1 0 0 1 1
0.5774757984 1.0000000000
2 0 0 1 1
1.6232168850 1.0000000000
3 0 0 1 1
4.8531429808 1.0000000000
4 0 0 1 1
18.2906288657 1.0000000000
5 0 0 1 1
71.2839471132 1.0000000000
6 0 0 1 1
269.6697310247 1.0000000000
7 1 1 1 1
0.7892217820 1.0000000000
8 1 1 1 1
2.0904110637 1.0000000000
9 1 1 1 1
5.9476450215 1.0000000000
10 1 1 1 1
17.3897120467 1.0000000000
11 2 2 1 1
0.9056956890 1.0000000000
12 2 2 1 1
3.0000298453 1.0000000000
13 2 2 1 1
9.1214424485 1.0000000000
14 3 3 1 1
1.6689077535 1.0000000000
15 3 3 1 1
5.6300671642 1.0000000000
16 4 4 1 1
4.4288823901 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 5.7e-04
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_6_4_4_3_1_0_0_error_5.7e-04
18
1 0 0 1 1
0.5008202856 1.0000000000
2 0 0 1 1
1.7990155030 1.0000000000
3 0 0 1 1
4.4833053934 1.0000000000
4 0 0 1 1
14.9533551009 1.0000000000
5 0 0 1 1
61.1963522452 1.0000000000
6 0 0 1 1
215.3367946816 1.0000000000
7 1 1 1 1
0.6279885109 1.0000000000
8 1 1 1 1
1.7703368411 1.0000000000
9 1 1 1 1
4.9302435583 1.0000000000
10 1 1 1 1
17.0629121258 1.0000000000
11 2 2 1 1
1.0121532973 1.0000000000
12 2 2 1 1
2.1317063778 1.0000000000
13 2 2 1 1
4.6769297800 1.0000000000
14 2 2 1 1
11.9698619229 1.0000000000
15 3 3 1 1
0.5722661388 1.0000000000
16 3 3 1 1
2.6426363347 1.0000000000
17 3 3 1 1
7.5004736342 1.0000000000
18 4 4 1 1
4.9723209504 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.0e-04
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_077_s_p_d_f_g_h_i_6_4_4_3_2_0_0_error_2.0e-04
19
1 0 0 1 1
0.4200060039 1.0000000000
2 0 0 1 1
1.6821224879 1.0000000000
3 0 0 1 1
3.1436680192 1.0000000000
4 0 0 1 1
13.1430733814 1.0000000000
5 0 0 1 1
62.5308213321 1.0000000000
6 0 0 1 1
246.9821494380 1.0000000000
7 1 1 1 1
0.6622853755 1.0000000000
8 1 1 1 1
1.7718182915 1.0000000000
9 1 1 1 1
4.4324214066 1.0000000000
10 1 1 1 1
15.1700542902 1.0000000000
11 2 2 1 1
0.7574931484 1.0000000000
12 2 2 1 1
1.8797810666 1.0000000000
13 2 2 1 1
4.8196678366 1.0000000000
14 2 2 1 1
17.1488382983 1.0000000000
15 3 3 1 1
1.1090219380 1.0000000000
16 3 3 1 1
2.7972741283 1.0000000000
17 3 3 1 1
6.9701605606 1.0000000000
18 4 4 1 1
1.4659311782 1.0000000000
19 4 4 1 1
6.4304735805 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 2.7e-05
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_089_s_p_d_f_g_h_i_7_4_4_3_2_1_0_error_2.7e-05
21
1 0 0 1 1
0.5481066716 1.0000000000
2 0 0 1 1
1.1683434151 1.0000000000
3 0 0 1 1
3.3620204772 1.0000000000
4 0 0 1 1
9.3802881658 1.0000000000
5 0 0 1 1
28.9475036702 1.0000000000
6 0 0 1 1
89.0446728689 1.0000000000
7 0 0 1 1
269.6646490396 1.0000000000
8 1 1 1 1
0.6730967245 1.0000000000
9 1 1 1 1
1.6435699346 1.0000000000
10 1 1 1 1
4.9441731652 1.0000000000
11 1 1 1 1
15.1262545305 1.0000000000
12 2 2 1 1
0.7530573837 1.0000000000
13 2 2 1 1
1.6242852285 1.0000000000
14 2 2 1 1
4.9032590009 1.0000000000
15 2 2 1 1
14.3085546627 1.0000000000
16 3 3 1 1
0.8799470996 1.0000000000
17 3 3 1 1
2.3187179365 1.0000000000
18 3 3 1 1
6.8446857727 1.0000000000
19 4 4 1 1
0.9745477703 1.0000000000
20 4 4 1 1
6.4590455777 1.0000000000
21 5 5 1 1
1.1056232814 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 1.2e-05
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_7_5_5_4_2_1_0_error_1.2e-05
24
1 0 0 1 1
0.4947522140 1.0000000000
2 0 0 1 1
1.1858743704 1.0000000000
3 0 0 1 1
3.1388769674 1.0000000000
4 0 0 1 1
8.9673455294 1.0000000000
5 0 0 1 1
28.4884749352 1.0000000000
6 0 0 1 1
88.5926356863 1.0000000000
7 0 0 1 1
269.2047099616 1.0000000000
8 1 1 1 1
0.5339110432 1.0000000000
9 1 1 1 1
1.5863650404 1.0000000000
10 1 1 1 1
4.4864470391 1.0000000000
11 1 1 1 1
15.8407442275 1.0000000000
12 1 1 1 1
48.9080541734 1.0000000000
13 2 2 1 1
0.5175284694 1.0000000000
14 2 2 1 1
1.0544813270 1.0000000000
15 2 2 1 1
2.4451233528 1.0000000000
16 2 2 1 1
5.1398440243 1.0000000000
17 2 2 1 1
13.5667918627 1.0000000000
18 3 3 1 1
0.6583302963 1.0000000000
19 3 3 1 1
1.8551253167 1.0000000000
20 3 3 1 1
3.9135169117 1.0000000000
21 3 3 1 1
7.7581322367 1.0000000000
22 4 4 1 1
0.8736452274 1.0000000000
23 4 4 1 1
6.0975268781 1.0000000000
24 5 5 1 1
0.8608216383 1.0000000000
# RI basis set for Ne (all-electron) relative DI metric: 5.8e-06
Ne RI_aug-TZVP-MOLOPT-ae_N_RI_113_s_p_d_f_g_h_i_7_5_5_4_3_1_0_error_5.8e-06
25
1 0 0 1 1
0.4771586132 1.0000000000
2 0 0 1 1
0.9652333488 1.0000000000
3 0 0 1 1
2.6328005066 1.0000000000
4 0 0 1 1
7.7067536043 1.0000000000
5 0 0 1 1
25.3045908851 1.0000000000
6 0 0 1 1
84.7214858405 1.0000000000
7 0 0 1 1
265.2366652186 1.0000000000
8 1 1 1 1
0.6393714377 1.0000000000
9 1 1 1 1
1.5238600431 1.0000000000
10 1 1 1 1
4.3467837123 1.0000000000
11 1 1 1 1
11.2727254773 1.0000000000
12 1 1 1 1
39.9299202236 1.0000000000
13 2 2 1 1
0.6344284299 1.0000000000
14 2 2 1 1
1.1777101782 1.0000000000
15 2 2 1 1
2.6909365640 1.0000000000
16 2 2 1 1
5.2012563563 1.0000000000
17 2 2 1 1
14.1326326914 1.0000000000
18 3 3 1 1
0.7901432335 1.0000000000
19 3 3 1 1
1.7565103850 1.0000000000
20 3 3 1 1
3.8818287140 1.0000000000
21 3 3 1 1
8.0447446335 1.0000000000
22 4 4 1 1
0.8334394184 1.0000000000
23 4 4 1 1
3.2105697574 1.0000000000
24 4 4 1 1
7.1054882942 1.0000000000
25 5 5 1 1
1.0193582738 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 3.8e-02
Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_005_s_p_d_f_g_h_i_2_1_0_0_0_0_0_error_3.8e-02
3
1 0 0 1 1
0.1659950329 1.0000000000
2 0 0 1 1
3.4988769034 1.0000000000
3 1 1 1 1
9.4222426315 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 1.9e-03
Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_1.9e-03
6
1 0 0 1 1
0.3305171263 1.0000000000
2 0 0 1 1
0.8697493974 1.0000000000
3 0 0 1 1
1.9321219344 1.0000000000
4 1 1 1 1
0.6188680630 1.0000000000
5 1 1 1 1
6.2243787904 1.0000000000
6 2 2 1 1
9.4317708295 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 7.2e-04
Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_7.2e-04
7
1 0 0 1 1
0.3328919834 1.0000000000
2 0 0 1 1
0.9475613956 1.0000000000
3 0 0 1 1
2.3707872534 1.0000000000
4 1 1 1 1
0.6326303538 1.0000000000
5 1 1 1 1
6.0255216980 1.0000000000
6 2 2 1 1
0.2327810196 1.0000000000
7 2 2 1 1
9.0861714161 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 1.7e-04
Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_1.7e-04
8
1 0 0 1 1
0.1956740974 1.0000000000
2 0 0 1 1
0.7280004203 1.0000000000
3 0 0 1 1
3.0101112539 1.0000000000
4 0 0 1 1
12.9907838033 1.0000000000
5 1 1 1 1
0.6442344598 1.0000000000
6 1 1 1 1
6.0090195654 1.0000000000
7 2 2 1 1
0.8182234386 1.0000000000
8 2 2 1 1
7.0230466319 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 3.9e-05
Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_028_s_p_d_f_g_h_i_4_3_3_0_0_0_0_error_3.9e-05
10
1 0 0 1 1
0.1987987891 1.0000000000
2 0 0 1 1
0.9271273975 1.0000000000
3 0 0 1 1
2.4885559769 1.0000000000
4 0 0 1 1
11.8887685082 1.0000000000
5 1 1 1 1
0.3136972153 1.0000000000
6 1 1 1 1
0.8152318450 1.0000000000
7 1 1 1 1
4.7310207450 1.0000000000
8 2 2 1 1
0.2073404573 1.0000000000
9 2 2 1 1
0.7874476838 1.0000000000
10 2 2 1 1
7.4339450521 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 8.2e-07
Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_8.2e-07
16
1 0 0 1 1
0.1243510767 1.0000000000
2 0 0 1 1
0.2896492398 1.0000000000
3 0 0 1 1
0.6819272224 1.0000000000
4 0 0 1 1
1.5848630386 1.0000000000
5 0 0 1 1
3.6827639027 1.0000000000
6 0 0 1 1
8.6094873363 1.0000000000
7 0 0 1 1
20.0672084093 1.0000000000
8 1 1 1 1
0.0920321819 1.0000000000
9 1 1 1 1
0.4244053257 1.0000000000
10 1 1 1 1
1.1119206412 1.0000000000
11 1 1 1 1
4.6534389842 1.0000000000
12 1 1 1 1
18.6668676400 1.0000000000
13 2 2 1 1
0.1337113219 1.0000000000
14 2 2 1 1
0.8782885904 1.0000000000
15 2 2 1 1
5.0672330221 1.0000000000
16 2 2 1 1
15.1367531967 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 2.4e-07
Na RI_aug-SZV-MOLOPT-ae-mini_N_RI_055_s_p_d_f_g_h_i_7_6_6_0_0_0_0_error_2.4e-07
19
1 0 0 1 1
0.1249999995 1.0000000000
2 0 0 1 1
0.2914106205 1.0000000000
3 0 0 1 1
0.6793612018 1.0000000000
4 0 0 1 1
1.5837845625 1.0000000000
5 0 0 1 1
3.6922531511 1.0000000000
6 0 0 1 1
8.6076942845 1.0000000000
7 0 0 1 1
20.0669883318 1.0000000000
8 1 1 1 1
0.1249999978 1.0000000000
9 1 1 1 1
0.3451631665 1.0000000000
10 1 1 1 1
0.9531009150 1.0000000000
11 1 1 1 1
2.6318026849 1.0000000000
12 1 1 1 1
7.2672108188 1.0000000000
13 1 1 1 1
20.0669883265 1.0000000000
14 2 2 1 1
0.1250000000 1.0000000000
15 2 2 1 1
0.3451631709 1.0000000000
16 2 2 1 1
0.9531009202 1.0000000000
17 2 2 1 1
2.6318026818 1.0000000000
18 2 2 1 1
7.2672107973 1.0000000000
19 2 2 1 1
20.0669883688 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 2.4e-02
Na RI_aug-SZV-MOLOPT-ae_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_2.4e-02
5
1 0 0 1 1
0.4798297284 1.0000000000
2 0 0 1 1
2.0550990198 1.0000000000
3 0 0 1 1
130.3357741540 1.0000000000
4 1 1 1 1
0.5532086748 1.0000000000
5 1 1 1 1
7.7007017924 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 1.4e-03
Na RI_aug-SZV-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.4e-03
9
1 0 0 1 1
0.5062487345 1.0000000000
2 0 0 1 1
2.7166170610 1.0000000000
3 0 0 1 1
14.9314761310 1.0000000000
4 0 0 1 1
121.9203963807 1.0000000000
5 1 1 1 1
0.6645949346 1.0000000000
6 1 1 1 1
5.1969137824 1.0000000000
7 1 1 1 1
15.2242234832 1.0000000000
8 2 2 1 1
0.2048028426 1.0000000000
9 2 2 1 1
10.6234344169 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 7.2e-05
Na RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_6_4_2_0_0_0_0_error_7.2e-05
12
1 0 0 1 1
0.0972240400 1.0000000000
2 0 0 1 1
0.5810912743 1.0000000000
3 0 0 1 1
2.2325909807 1.0000000000
4 0 0 1 1
3.9634813260 1.0000000000
5 0 0 1 1
26.2099468993 1.0000000000
6 0 0 1 1
131.7709777641 1.0000000000
7 1 1 1 1
0.3465160744 1.0000000000
8 1 1 1 1
0.9266454584 1.0000000000
9 1 1 1 1
4.2826126749 1.0000000000
10 1 1 1 1
24.0544975966 1.0000000000
11 2 2 1 1
0.7434881497 1.0000000000
12 2 2 1 1
7.4085082238 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 2.8e-05
Na RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.8e-05
13
1 0 0 1 1
0.0938891993 1.0000000000
2 0 0 1 1
0.5685845659 1.0000000000
3 0 0 1 1
2.1761013692 1.0000000000
4 0 0 1 1
3.8315733004 1.0000000000
5 0 0 1 1
25.7818840726 1.0000000000
6 0 0 1 1
131.6818782923 1.0000000000
7 1 1 1 1
0.3231018255 1.0000000000
8 1 1 1 1
0.8336905909 1.0000000000
9 1 1 1 1
4.6182603847 1.0000000000
10 1 1 1 1
24.4319205136 1.0000000000
11 2 2 1 1
0.1004302377 1.0000000000
12 2 2 1 1
0.7471696705 1.0000000000
13 2 2 1 1
7.4776468823 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 7.8e-06
Na RI_aug-SZV-MOLOPT-ae_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_7.8e-06
16
1 0 0 1 1
0.1248701287 1.0000000000
2 0 0 1 1
0.5817364102 1.0000000000
3 0 0 1 1
1.6466585962 1.0000000000
4 0 0 1 1
4.0996485737 1.0000000000
5 0 0 1 1
23.8473181963 1.0000000000
6 0 0 1 1
106.5236860087 1.0000000000
7 1 1 1 1
0.1155081480 1.0000000000
8 1 1 1 1
0.3031130024 1.0000000000
9 1 1 1 1
1.0217320632 1.0000000000
10 1 1 1 1
4.5009918036 1.0000000000
11 1 1 1 1
30.0863272264 1.0000000000
12 2 2 1 1
0.0943312359 1.0000000000
13 2 2 1 1
0.8513108167 1.0000000000
14 2 2 1 1
7.2827116986 1.0000000000
15 3 3 1 1
0.3198801961 1.0000000000
16 3 3 1 1
1.8233632511 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 1.6e-06
Na RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_7_6_3_2_1_0_0_error_1.6e-06
19
1 0 0 1 1
0.0962155837 1.0000000000
2 0 0 1 1
0.2059399214 1.0000000000
3 0 0 1 1
0.7800942577 1.0000000000
4 0 0 1 1
2.7618605248 1.0000000000
5 0 0 1 1
9.7015520106 1.0000000000
6 0 0 1 1
36.4487264835 1.0000000000
7 0 0 1 1
138.9793070848 1.0000000000
8 1 1 1 1
0.1099208247 1.0000000000
9 1 1 1 1
0.2185840195 1.0000000000
10 1 1 1 1
0.8906016355 1.0000000000
11 1 1 1 1
2.9681717035 1.0000000000
12 1 1 1 1
5.9749488285 1.0000000000
13 1 1 1 1
33.7427160018 1.0000000000
14 2 2 1 1
0.0930101091 1.0000000000
15 2 2 1 1
0.7859260246 1.0000000000
16 2 2 1 1
7.5628083544 1.0000000000
17 3 3 1 1
0.4728549272 1.0000000000
18 3 3 1 1
1.8377351608 1.0000000000
19 4 4 1 1
0.4464535805 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 2.8e-02
Na RI_aug-DZVP-MOLOPT-ae_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_2.8e-02
7
1 0 0 1 1
0.3548782787 1.0000000000
2 0 0 1 1
0.7528039463 1.0000000000
3 0 0 1 1
11.2823438496 1.0000000000
4 0 0 1 1
41.3926914307 1.0000000000
5 1 1 1 1
0.6910738743 1.0000000000
6 1 1 1 1
2.5421382962 1.0000000000
7 1 1 1 1
9.7702122514 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 1.4e-02
Na RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.4e-02
9
1 0 0 1 1
0.6569658913 1.0000000000
2 0 0 1 1
2.2944863700 1.0000000000
3 0 0 1 1
7.5863584352 1.0000000000
4 0 0 1 1
28.9603368176 1.0000000000
5 1 1 1 1
0.8521499089 1.0000000000
6 1 1 1 1
1.9201916382 1.0000000000
7 1 1 1 1
10.3095645549 1.0000000000
8 2 2 1 1
4.0592321049 1.0000000000
9 2 2 1 1
8.2100385770 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 5.4e-03
Na RI_aug-DZVP-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_5_4_2_0_0_0_0_error_5.4e-03
11
1 0 0 1 1
0.4078941031 1.0000000000
2 0 0 1 1
1.5413888754 1.0000000000
3 0 0 1 1
5.7371141558 1.0000000000
4 0 0 1 1
21.7252774020 1.0000000000
5 0 0 1 1
83.4817913728 1.0000000000
6 1 1 1 1
0.2737733419 1.0000000000
7 1 1 1 1
0.8704299307 1.0000000000
8 1 1 1 1
2.4492897507 1.0000000000
9 1 1 1 1
9.8191827499 1.0000000000
10 2 2 1 1
0.5944873286 1.0000000000
11 2 2 1 1
4.2528661252 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 9.7e-04
Na RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_5_4_3_1_0_0_0_error_9.7e-04
13
1 0 0 1 1
0.5146403839 1.0000000000
2 0 0 1 1
1.9307149051 1.0000000000
3 0 0 1 1
6.5790309246 1.0000000000
4 0 0 1 1
21.3519120992 1.0000000000
5 0 0 1 1
81.0060520322 1.0000000000
6 1 1 1 1
0.2360573389 1.0000000000
7 1 1 1 1
0.7877452114 1.0000000000
8 1 1 1 1
2.7046165793 1.0000000000
9 1 1 1 1
9.3938319467 1.0000000000
10 2 2 1 1
0.1445260351 1.0000000000
11 2 2 1 1
0.6006678723 1.0000000000
12 2 2 1 1
4.5738096863 1.0000000000
13 3 3 1 1
2.4004644175 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 1.5e-04
Na RI_aug-DZVP-MOLOPT-ae_N_RI_069_s_p_d_f_g_h_i_7_5_4_1_1_1_0_error_1.5e-04
19
1 0 0 1 1
0.1198096619 1.0000000000
2 0 0 1 1
0.5048768535 1.0000000000
3 0 0 1 1
1.8006252956 1.0000000000
4 0 0 1 1
5.5015818959 1.0000000000
5 0 0 1 1
13.3426666348 1.0000000000
6 0 0 1 1
47.9204411554 1.0000000000
7 0 0 1 1
166.7035532803 1.0000000000
8 1 1 1 1
0.3263538067 1.0000000000
9 1 1 1 1
0.9542279643 1.0000000000
10 1 1 1 1
2.7893378159 1.0000000000
11 1 1 1 1
8.6465093952 1.0000000000
12 1 1 1 1
25.8148071677 1.0000000000
13 2 2 1 1
0.1967863522 1.0000000000
14 2 2 1 1
0.7163693288 1.0000000000
15 2 2 1 1
2.1623188339 1.0000000000
16 2 2 1 1
8.1586922343 1.0000000000
17 3 3 1 1
2.3732917676 1.0000000000
18 4 4 1 1
0.5154958653 1.0000000000
19 5 5 1 1
0.3097677618 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 1.6e-02
Na RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_4_3_1_1_0_0_0_error_1.6e-02
9
1 0 0 1 1
0.5737786902 1.0000000000
2 0 0 1 1
1.6353724535 1.0000000000
3 0 0 1 1
9.9844651012 1.0000000000
4 0 0 1 1
54.0164854180 1.0000000000
5 1 1 1 1
0.8985118325 1.0000000000
6 1 1 1 1
2.5368786001 1.0000000000
7 1 1 1 1
7.2717100350 1.0000000000
8 2 2 1 1
2.7931882419 1.0000000000
9 3 3 1 1
3.0052673142 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 2.2e-03
Na RI_aug-TZVP-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_5_4_3_2_0_0_0_error_2.2e-03
14
1 0 0 1 1
0.6150511570 1.0000000000
2 0 0 1 1
1.7051493610 1.0000000000
3 0 0 1 1
2.6980278999 1.0000000000
4 0 0 1 1
6.7090559481 1.0000000000
5 0 0 1 1
23.9020220499 1.0000000000
6 1 1 1 1
0.6683729754 1.0000000000
7 1 1 1 1
1.5760465006 1.0000000000
8 1 1 1 1
3.3831892886 1.0000000000
9 1 1 1 1
7.8874128807 1.0000000000
10 2 2 1 1
0.8462179544 1.0000000000
11 2 2 1 1
3.7273769663 1.0000000000
12 2 2 1 1
17.4318610851 1.0000000000
13 3 3 1 1
0.7671792391 1.0000000000
14 3 3 1 1
3.5522045146 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 2.7e-04
Na RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_6_5_3_2_1_0_0_error_2.7e-04
17
1 0 0 1 1
0.1523521569 1.0000000000
2 0 0 1 1
0.7041579422 1.0000000000
3 0 0 1 1
2.6770632121 1.0000000000
4 0 0 1 1
7.6571946289 1.0000000000
5 0 0 1 1
29.2315972045 1.0000000000
6 0 0 1 1
139.6262280750 1.0000000000
7 1 1 1 1
0.1378190007 1.0000000000
8 1 1 1 1
0.6248620026 1.0000000000
9 1 1 1 1
2.3286291883 1.0000000000
10 1 1 1 1
5.9901571103 1.0000000000
11 1 1 1 1
13.8870914073 1.0000000000
12 2 2 1 1
1.1183492925 1.0000000000
13 2 2 1 1
2.8343798526 1.0000000000
14 2 2 1 1
16.4309632249 1.0000000000
15 3 3 1 1
0.8052075150 1.0000000000
16 3 3 1 1
3.2816004192 1.0000000000
17 4 4 1 1
2.4742737549 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 7.6e-05
Na RI_aug-TZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_7.6e-05
19
1 0 0 1 1
0.1087928572 1.0000000000
2 0 0 1 1
0.3702483176 1.0000000000
3 0 0 1 1
1.1728002416 1.0000000000
4 0 0 1 1
3.0260594117 1.0000000000
5 0 0 1 1
8.9109960421 1.0000000000
6 0 0 1 1
34.8512132354 1.0000000000
7 0 0 1 1
121.0420291629 1.0000000000
8 1 1 1 1
0.1630462475 1.0000000000
9 1 1 1 1
0.6729612470 1.0000000000
10 1 1 1 1
2.4600880770 1.0000000000
11 1 1 1 1
5.3591345043 1.0000000000
12 1 1 1 1
12.4191925111 1.0000000000
13 2 2 1 1
0.3969772490 1.0000000000
14 2 2 1 1
1.5326220073 1.0000000000
15 2 2 1 1
2.9796556406 1.0000000000
16 2 2 1 1
17.2999718852 1.0000000000
17 3 3 1 1
0.8869935434 1.0000000000
18 3 3 1 1
3.3891014037 1.0000000000
19 4 4 1 1
2.8759816146 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 3.3e-05
Na RI_aug-TZVP-MOLOPT-ae_N_RI_087_s_p_d_f_g_h_i_7_6_5_4_1_0_0_error_3.3e-05
23
1 0 0 1 1
0.1734105201 1.0000000000
2 0 0 1 1
0.5026019846 1.0000000000
3 0 0 1 1
1.4226085299 1.0000000000
4 0 0 1 1
3.8558945550 1.0000000000
5 0 0 1 1
10.7313926665 1.0000000000
6 0 0 1 1
31.8832405582 1.0000000000
7 0 0 1 1
92.4804961821 1.0000000000
8 1 1 1 1
0.1136645112 1.0000000000
9 1 1 1 1
0.2482343553 1.0000000000
10 1 1 1 1
0.8839750082 1.0000000000
11 1 1 1 1
3.1352388181 1.0000000000
12 1 1 1 1
5.9503271712 1.0000000000
13 1 1 1 1
20.7280878085 1.0000000000
14 2 2 1 1
0.1403314941 1.0000000000
15 2 2 1 1
0.4935536254 1.0000000000
16 2 2 1 1
1.7229945583 1.0000000000
17 2 2 1 1
3.1318695565 1.0000000000
18 2 2 1 1
14.7996786130 1.0000000000
19 3 3 1 1
0.1010979923 1.0000000000
20 3 3 1 1
0.3403085869 1.0000000000
21 3 3 1 1
1.1722446661 1.0000000000
22 3 3 1 1
3.7319016120 1.0000000000
23 4 4 1 1
2.7475340858 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 1.6e-05
Na RI_aug-TZVP-MOLOPT-ae_N_RI_094_s_p_d_f_g_h_i_7_6_5_5_1_0_0_error_1.6e-05
24
1 0 0 1 1
0.1379690051 1.0000000000
2 0 0 1 1
0.4757434633 1.0000000000
3 0 0 1 1
1.4412409818 1.0000000000
4 0 0 1 1
2.2408095829 1.0000000000
5 0 0 1 1
6.1824913434 1.0000000000
6 0 0 1 1
25.0040677343 1.0000000000
7 0 0 1 1
96.3640608050 1.0000000000
8 1 1 1 1
0.1087521954 1.0000000000
9 1 1 1 1
0.2421708135 1.0000000000
10 1 1 1 1
0.8677995946 1.0000000000
11 1 1 1 1
2.5211878692 1.0000000000
12 1 1 1 1
6.4419165865 1.0000000000
13 1 1 1 1
21.3600094650 1.0000000000
14 2 2 1 1
0.1245043641 1.0000000000
15 2 2 1 1
0.4724014835 1.0000000000
16 2 2 1 1
1.6699788102 1.0000000000
17 2 2 1 1
3.1446228990 1.0000000000
18 2 2 1 1
15.4096000597 1.0000000000
19 3 3 1 1
0.1046485725 1.0000000000
20 3 3 1 1
0.2570209082 1.0000000000
21 3 3 1 1
0.6378435612 1.0000000000
22 3 3 1 1
1.4835143337 1.0000000000
23 3 3 1 1
3.8558478308 1.0000000000
24 4 4 1 1
2.7157180157 1.0000000000
# RI basis set for Na (all-electron) relative DI metric: 4.3e-06
Na RI_aug-TZVP-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_4.3e-06
27
1 0 0 1 1
0.1327196587 1.0000000000
2 0 0 1 1
0.4268266540 1.0000000000
3 0 0 1 1
1.4631424244 1.0000000000
4 0 0 1 1
2.3104509070 1.0000000000
5 0 0 1 1
5.6378490564 1.0000000000
6 0 0 1 1
20.0138246547 1.0000000000
7 0 0 1 1
83.7751346728 1.0000000000
8 1 1 1 1
0.1302483561 1.0000000000
9 1 1 1 1
0.4475250354 1.0000000000
10 1 1 1 1
1.2995001929 1.0000000000
11 1 1 1 1
2.6546297739 1.0000000000
12 1 1 1 1
8.3845279054 1.0000000000
13 1 1 1 1
20.5189335471 1.0000000000
14 2 2 1 1
0.1242322855 1.0000000000
15 2 2 1 1
0.3346059322 1.0000000000
16 2 2 1 1
0.9230487970 1.0000000000
17 2 2 1 1
2.5266980924 1.0000000000
18 2 2 1 1
5.5784521229 1.0000000000
19 2 2 1 1
15.0405073734 1.0000000000
20 3 3 1 1
0.1052549304 1.0000000000
21 3 3 1 1
0.2795957125 1.0000000000
22 3 3 1 1
0.7580076292 1.0000000000
23 3 3 1 1
1.8992066818 1.0000000000
24 3 3 1 1
4.4570017204 1.0000000000
25 4 4 1 1
0.0914638893 1.0000000000
26 4 4 1 1
0.6403793239 1.0000000000
27 4 4 1 1
2.8181169662 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 3.4e-02
Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.4e-02
5
1 0 0 1 1
0.4206501406 1.0000000000
2 0 0 1 1
1.3859240259 1.0000000000
3 0 0 1 1
11.7020853632 1.0000000000
4 1 1 1 1
0.1591635569 1.0000000000
5 1 1 1 1
12.7576069267 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.5e-02
Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_6_3_0_0_0_0_0_error_1.5e-02
9
1 0 0 1 1
0.0989860728 1.0000000000
2 0 0 1 1
0.2807687108 1.0000000000
3 0 0 1 1
0.6301160668 1.0000000000
4 0 0 1 1
1.7602737682 1.0000000000
5 0 0 1 1
11.9965250989 1.0000000000
6 0 0 1 1
32.1888849681 1.0000000000
7 1 1 1 1
0.1015634563 1.0000000000
8 1 1 1 1
0.2713061943 1.0000000000
9 1 1 1 1
7.0692745964 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.1e-03
Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_7_4_1_0_0_0_0_error_1.1e-03
12
1 0 0 1 1
0.0995477887 1.0000000000
2 0 0 1 1
0.2591895416 1.0000000000
3 0 0 1 1
0.6858331831 1.0000000000
4 0 0 1 1
1.7619287537 1.0000000000
5 0 0 1 1
4.8731195849 1.0000000000
6 0 0 1 1
10.1532501366 1.0000000000
7 0 0 1 1
23.1858030745 1.0000000000
8 1 1 1 1
0.1178332773 1.0000000000
9 1 1 1 1
0.2972925399 1.0000000000
10 1 1 1 1
1.3761453597 1.0000000000
11 1 1 1 1
6.0795374773 1.0000000000
12 2 2 1 1
11.7369785276 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 3.9e-06
Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_034_s_p_d_f_g_h_i_7_4_3_0_0_0_0_error_3.9e-06
14
1 0 0 1 1
0.0949380541 1.0000000000
2 0 0 1 1
0.2494633503 1.0000000000
3 0 0 1 1
0.7039653384 1.0000000000
4 0 0 1 1
1.7723919038 1.0000000000
5 0 0 1 1
4.4222552582 1.0000000000
6 0 0 1 1
10.3423231831 1.0000000000
7 0 0 1 1
24.7625976405 1.0000000000
8 1 1 1 1
0.1058009809 1.0000000000
9 1 1 1 1
0.3692706196 1.0000000000
10 1 1 1 1
1.0607496860 1.0000000000
11 1 1 1 1
6.5518515786 1.0000000000
12 2 2 1 1
0.2432142270 1.0000000000
13 2 2 1 1
1.2580402050 1.0000000000
14 2 2 1 1
8.5016927123 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.6e-06
Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.6e-06
15
1 0 0 1 1
0.0985221237 1.0000000000
2 0 0 1 1
0.2577014524 1.0000000000
3 0 0 1 1
0.7021029601 1.0000000000
4 0 0 1 1
1.7700270827 1.0000000000
5 0 0 1 1
4.4299168539 1.0000000000
6 0 0 1 1
10.3414234164 1.0000000000
7 0 0 1 1
24.7687749004 1.0000000000
8 1 1 1 1
0.1053783012 1.0000000000
9 1 1 1 1
0.3559938100 1.0000000000
10 1 1 1 1
1.3186187982 1.0000000000
11 1 1 1 1
5.6209843447 1.0000000000
12 1 1 1 1
24.3289735305 1.0000000000
13 2 2 1 1
0.2645579050 1.0000000000
14 2 2 1 1
0.9777913902 1.0000000000
15 2 2 1 1
9.3237396067 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 2.9e-07
Mg RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_2.9e-07
17
1 0 0 1 1
0.0963879662 1.0000000000
2 0 0 1 1
0.2536080657 1.0000000000
3 0 0 1 1
0.7040003066 1.0000000000
4 0 0 1 1
1.7676155648 1.0000000000
5 0 0 1 1
4.3053256701 1.0000000000
6 0 0 1 1
10.3829981799 1.0000000000
7 0 0 1 1
25.1423612667 1.0000000000
8 1 1 1 1
0.1021068101 1.0000000000
9 1 1 1 1
0.3354598715 1.0000000000
10 1 1 1 1
1.0579337882 1.0000000000
11 1 1 1 1
3.0536115007 1.0000000000
12 1 1 1 1
8.4165490950 1.0000000000
13 1 1 1 1
25.1445541017 1.0000000000
14 2 2 1 1
0.1308743527 1.0000000000
15 2 2 1 1
1.0412861910 1.0000000000
16 2 2 1 1
6.3866393058 1.0000000000
17 2 2 1 1
15.8676238442 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.3e-02
Mg RI_aug-SZV-MOLOPT-ae_N_RI_020_s_p_d_f_g_h_i_6_3_1_0_0_0_0_error_1.3e-02
10
1 0 0 1 1
0.0935169191 1.0000000000
2 0 0 1 1
0.2582763859 1.0000000000
3 0 0 1 1
1.4536999722 1.0000000000
4 0 0 1 1
10.1114146566 1.0000000000
5 0 0 1 1
43.0502525213 1.0000000000
6 0 0 1 1
186.3152522419 1.0000000000
7 1 1 1 1
0.1772203472 1.0000000000
8 1 1 1 1
0.6122203844 1.0000000000
9 1 1 1 1
7.3760092471 1.0000000000
10 2 2 1 1
0.1678555406 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 4.3e-03
Mg RI_aug-SZV-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_4.3e-03
11
1 0 0 1 1
0.1012791075 1.0000000000
2 0 0 1 1
0.3096646188 1.0000000000
3 0 0 1 1
1.5094073031 1.0000000000
4 0 0 1 1
7.5839993976 1.0000000000
5 0 0 1 1
36.6261931303 1.0000000000
6 0 0 1 1
179.4004518358 1.0000000000
7 1 1 1 1
0.0939384635 1.0000000000
8 1 1 1 1
0.5257141015 1.0000000000
9 1 1 1 1
4.1101923551 1.0000000000
10 2 2 1 1
0.1946556418 1.0000000000
11 2 2 1 1
12.1555511383 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 7.7e-04
Mg RI_aug-SZV-MOLOPT-ae_N_RI_028_s_p_d_f_g_h_i_6_4_2_0_0_0_0_error_7.7e-04
12
1 0 0 1 1
0.1004487933 1.0000000000
2 0 0 1 1
0.3744840272 1.0000000000
3 0 0 1 1
2.0748269278 1.0000000000
4 0 0 1 1
7.4338102455 1.0000000000
5 0 0 1 1
39.8045117870 1.0000000000
6 0 0 1 1
174.4518111622 1.0000000000
7 1 1 1 1
0.1614575159 1.0000000000
8 1 1 1 1
0.4172997669 1.0000000000
9 1 1 1 1
7.0512881106 1.0000000000
10 1 1 1 1
34.2432819087 1.0000000000
11 2 2 1 1
0.2036911786 1.0000000000
12 2 2 1 1
12.0275842468 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 3.6e-04
Mg RI_aug-SZV-MOLOPT-ae_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_3.6e-04
13
1 0 0 1 1
0.0992065991 1.0000000000
2 0 0 1 1
0.3928761741 1.0000000000
3 0 0 1 1
2.2386393024 1.0000000000
4 0 0 1 1
6.4925744784 1.0000000000
5 0 0 1 1
37.8351098925 1.0000000000
6 0 0 1 1
172.0316414718 1.0000000000
7 1 1 1 1
0.2003304428 1.0000000000
8 1 1 1 1
0.3824897523 1.0000000000
9 1 1 1 1
5.1786169658 1.0000000000
10 1 1 1 1
20.3348287774 1.0000000000
11 2 2 1 1
0.1507903626 1.0000000000
12 2 2 1 1
0.8954827636 1.0000000000
13 2 2 1 1
9.1854836847 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.2e-05
Mg RI_aug-SZV-MOLOPT-ae_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.2e-05
15
1 0 0 1 1
0.1281101492 1.0000000000
2 0 0 1 1
0.3865424577 1.0000000000
3 0 0 1 1
1.4544494842 1.0000000000
4 0 0 1 1
5.2049127188 1.0000000000
5 0 0 1 1
16.9312483596 1.0000000000
6 0 0 1 1
55.1478962316 1.0000000000
7 0 0 1 1
179.3034513557 1.0000000000
8 1 1 1 1
0.1638039648 1.0000000000
9 1 1 1 1
0.3196976759 1.0000000000
10 1 1 1 1
1.6211938390 1.0000000000
11 1 1 1 1
5.6997794500 1.0000000000
12 1 1 1 1
32.9079665694 1.0000000000
13 2 2 1 1
0.1852188514 1.0000000000
14 2 2 1 1
1.1019882687 1.0000000000
15 2 2 1 1
9.3363931765 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.8e-06
Mg RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_1.8e-06
16
1 0 0 1 1
0.1460585692 1.0000000000
2 0 0 1 1
0.3496283230 1.0000000000
3 0 0 1 1
1.2122062334 1.0000000000
4 0 0 1 1
4.4737213171 1.0000000000
5 0 0 1 1
16.5736853767 1.0000000000
6 0 0 1 1
54.9926172174 1.0000000000
7 0 0 1 1
179.5915948772 1.0000000000
8 1 1 1 1
0.1560520526 1.0000000000
9 1 1 1 1
0.3415925326 1.0000000000
10 1 1 1 1
1.3225434816 1.0000000000
11 1 1 1 1
5.8255423540 1.0000000000
12 1 1 1 1
40.0555013896 1.0000000000
13 2 2 1 1
0.1845178658 1.0000000000
14 2 2 1 1
1.0229170574 1.0000000000
15 2 2 1 1
9.2743041849 1.0000000000
16 3 3 1 1
0.6047690570 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 6.7e-07
Mg RI_aug-SZV-MOLOPT-ae_N_RI_071_s_p_d_f_g_h_i_7_6_6_1_1_0_0_error_6.7e-07
21
1 0 0 1 1
0.1470993640 1.0000000000
2 0 0 1 1
0.3919839257 1.0000000000
3 0 0 1 1
1.2397457406 1.0000000000
4 0 0 1 1
4.1261745156 1.0000000000
5 0 0 1 1
16.4831001493 1.0000000000
6 0 0 1 1
54.9228246121 1.0000000000
7 0 0 1 1
179.1648333435 1.0000000000
8 1 1 1 1
0.1620360469 1.0000000000
9 1 1 1 1
0.3348497582 1.0000000000
10 1 1 1 1
1.3491537401 1.0000000000
11 1 1 1 1
4.6343508467 1.0000000000
12 1 1 1 1
13.4452288646 1.0000000000
13 1 1 1 1
43.7772490950 1.0000000000
14 2 2 1 1
0.1055202596 1.0000000000
15 2 2 1 1
0.2047547223 1.0000000000
16 2 2 1 1
0.5704710369 1.0000000000
17 2 2 1 1
1.4756227479 1.0000000000
18 2 2 1 1
3.7038459301 1.0000000000
19 2 2 1 1
11.0178951491 1.0000000000
20 3 3 1 1
0.6627048108 1.0000000000
21 4 4 1 1
0.5536024977 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 3.2e-07
Mg RI_aug-SZV-MOLOPT-ae_N_RI_085_s_p_d_f_g_h_i_7_6_6_3_1_0_0_error_3.2e-07
23
1 0 0 1 1
0.1430990131 1.0000000000
2 0 0 1 1
0.3506238762 1.0000000000
3 0 0 1 1
1.1119615396 1.0000000000
4 0 0 1 1
3.7356512607 1.0000000000
5 0 0 1 1
16.2735292823 1.0000000000
6 0 0 1 1
54.8664564841 1.0000000000
7 0 0 1 1
179.1541902964 1.0000000000
8 1 1 1 1
0.1773520167 1.0000000000
9 1 1 1 1
0.2932002740 1.0000000000
10 1 1 1 1
1.2181544646 1.0000000000
11 1 1 1 1
4.4157559951 1.0000000000
12 1 1 1 1
13.4361936675 1.0000000000
13 1 1 1 1
43.5765772557 1.0000000000
14 2 2 1 1
0.1047461753 1.0000000000
15 2 2 1 1
0.2064365520 1.0000000000
16 2 2 1 1
0.5709921959 1.0000000000
17 2 2 1 1
1.4781757622 1.0000000000
18 2 2 1 1
3.7117492770 1.0000000000
19 2 2 1 1
10.9125899811 1.0000000000
20 3 3 1 1
0.0996024935 1.0000000000
21 3 3 1 1
0.5243711476 1.0000000000
22 3 3 1 1
2.2799526161 1.0000000000
23 4 4 1 1
0.5530610059 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.5e-07
Mg RI_aug-SZV-MOLOPT-ae_N_RI_110_s_p_d_f_g_h_i_7_6_6_4_3_0_0_error_1.5e-07
26
1 0 0 1 1
0.1480731673 1.0000000000
2 0 0 1 1
0.3014458777 1.0000000000
3 0 0 1 1
0.9998156051 1.0000000000
4 0 0 1 1
3.6861447325 1.0000000000
5 0 0 1 1
13.0321292333 1.0000000000
6 0 0 1 1
48.1472500386 1.0000000000
7 0 0 1 1
179.6978603612 1.0000000000
8 1 1 1 1
0.1614848718 1.0000000000
9 1 1 1 1
0.3342061551 1.0000000000
10 1 1 1 1
1.3256343409 1.0000000000
11 1 1 1 1
4.5985613356 1.0000000000
12 1 1 1 1
14.6672611658 1.0000000000
13 1 1 1 1
44.0679644901 1.0000000000
14 2 2 1 1
0.1097911670 1.0000000000
15 2 2 1 1
0.1970059818 1.0000000000
16 2 2 1 1
0.5645391969 1.0000000000
17 2 2 1 1
1.4730506145 1.0000000000
18 2 2 1 1
3.7155301232 1.0000000000
19 2 2 1 1
11.3527053960 1.0000000000
20 3 3 1 1
0.1309384823 1.0000000000
21 3 3 1 1
0.3299111137 1.0000000000
22 3 3 1 1
0.8583701791 1.0000000000
23 3 3 1 1
2.2715126479 1.0000000000
24 4 4 1 1
0.1045898353 1.0000000000
25 4 4 1 1
0.3337529588 1.0000000000
26 4 4 1 1
0.8175883887 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.9e-02
Mg RI_aug-DZVP-MOLOPT-ae_N_RI_023_s_p_d_f_g_h_i_4_3_2_0_0_0_0_error_1.9e-02
9
1 0 0 1 1
0.7603394419 1.0000000000
2 0 0 1 1
5.3374659424 1.0000000000
3 0 0 1 1
18.6955198677 1.0000000000
4 0 0 1 1
130.4593963702 1.0000000000
5 1 1 1 1
0.2039056354 1.0000000000
6 1 1 1 1
0.5177019228 1.0000000000
7 1 1 1 1
9.9848935127 1.0000000000
8 2 2 1 1
0.2793855126 1.0000000000
9 2 2 1 1
13.4574256888 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 7.0e-03
Mg RI_aug-DZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_7_4_3_0_0_0_0_error_7.0e-03
14
1 0 0 1 1
0.0800509203 1.0000000000
2 0 0 1 1
0.2572866795 1.0000000000
3 0 0 1 1
0.8531864589 1.0000000000
4 0 0 1 1
3.0704266537 1.0000000000
5 0 0 1 1
12.5087798545 1.0000000000
6 0 0 1 1
47.1590962299 1.0000000000
7 0 0 1 1
178.3930072706 1.0000000000
8 1 1 1 1
0.1074254648 1.0000000000
9 1 1 1 1
0.3744458606 1.0000000000
10 1 1 1 1
1.9888841272 1.0000000000
11 1 1 1 1
5.6240012994 1.0000000000
12 2 2 1 1
0.1943351809 1.0000000000
13 2 2 1 1
0.8300856231 1.0000000000
14 2 2 1 1
10.0746342527 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 2.9e-03
Mg RI_aug-DZVP-MOLOPT-ae_N_RI_046_s_p_d_f_g_h_i_7_4_4_1_0_0_0_error_2.9e-03
16
1 0 0 1 1
0.0931563396 1.0000000000
2 0 0 1 1
0.2641069877 1.0000000000
3 0 0 1 1
0.9078628918 1.0000000000
4 0 0 1 1
3.2108384732 1.0000000000
5 0 0 1 1
11.6819633128 1.0000000000
6 0 0 1 1
45.7934931517 1.0000000000
7 0 0 1 1
177.1286129758 1.0000000000
8 1 1 1 1
0.1584423242 1.0000000000
9 1 1 1 1
0.2735407060 1.0000000000
10 1 1 1 1
1.0937729024 1.0000000000
11 1 1 1 1
8.7244543645 1.0000000000
12 2 2 1 1
0.1686955262 1.0000000000
13 2 2 1 1
0.5556460546 1.0000000000
14 2 2 1 1
1.3988660832 1.0000000000
15 2 2 1 1
8.4985631783 1.0000000000
16 3 3 1 1
1.7163613523 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 2.3e-04
Mg RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_2.3e-04
18
1 0 0 1 1
0.0930648348 1.0000000000
2 0 0 1 1
0.2612576038 1.0000000000
3 0 0 1 1
0.9525819054 1.0000000000
4 0 0 1 1
3.5659640832 1.0000000000
5 0 0 1 1
11.2921527489 1.0000000000
6 0 0 1 1
45.1627037356 1.0000000000
7 0 0 1 1
176.7990650641 1.0000000000
8 1 1 1 1
0.1353490055 1.0000000000
9 1 1 1 1
0.2714239068 1.0000000000
10 1 1 1 1
1.2937020485 1.0000000000
11 1 1 1 1
7.8204122556 1.0000000000
12 1 1 1 1
30.3270524645 1.0000000000
13 2 2 1 1
0.1644684766 1.0000000000
14 2 2 1 1
0.5864912306 1.0000000000
15 2 2 1 1
1.3794441451 1.0000000000
16 2 2 1 1
8.1530454924 1.0000000000
17 3 3 1 1
0.1472680895 1.0000000000
18 3 3 1 1
2.2268858235 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.0e-04
Mg RI_aug-DZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_1.0e-04
19
1 0 0 1 1
0.0908612009 1.0000000000
2 0 0 1 1
0.2589084179 1.0000000000
3 0 0 1 1
0.8956736272 1.0000000000
4 0 0 1 1
3.1514926145 1.0000000000
5 0 0 1 1
9.8281055195 1.0000000000
6 0 0 1 1
40.7550922275 1.0000000000
7 0 0 1 1
171.6940869748 1.0000000000
8 1 1 1 1
0.1193131991 1.0000000000
9 1 1 1 1
0.2782673222 1.0000000000
10 1 1 1 1
1.0710878502 1.0000000000
11 1 1 1 1
3.5284953493 1.0000000000
12 1 1 1 1
10.6298838808 1.0000000000
13 1 1 1 1
37.4676499204 1.0000000000
14 2 2 1 1
0.1896385913 1.0000000000
15 2 2 1 1
0.5984033887 1.0000000000
16 2 2 1 1
1.0888888804 1.0000000000
17 2 2 1 1
8.5628882855 1.0000000000
18 3 3 1 1
0.1267635174 1.0000000000
19 3 3 1 1
2.2998506615 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 4.2e-05
Mg RI_aug-DZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_4.2e-05
20
1 0 0 1 1
0.0917306398 1.0000000000
2 0 0 1 1
0.2595362241 1.0000000000
3 0 0 1 1
0.8699318295 1.0000000000
4 0 0 1 1
2.9242679432 1.0000000000
5 0 0 1 1
9.5444273515 1.0000000000
6 0 0 1 1
38.9209654676 1.0000000000
7 0 0 1 1
168.8633232212 1.0000000000
8 1 1 1 1
0.1134538180 1.0000000000
9 1 1 1 1
0.2410529392 1.0000000000
10 1 1 1 1
0.9624711619 1.0000000000
11 1 1 1 1
2.2921937815 1.0000000000
12 1 1 1 1
5.9021175247 1.0000000000
13 1 1 1 1
30.2643630423 1.0000000000
14 2 2 1 1
0.1857058861 1.0000000000
15 2 2 1 1
0.5689795561 1.0000000000
16 2 2 1 1
1.2503384786 1.0000000000
17 2 2 1 1
8.1639263990 1.0000000000
18 3 3 1 1
0.1558660930 1.0000000000
19 3 3 1 1
0.6789715720 1.0000000000
20 3 3 1 1
2.9173155221 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.2e-05
Mg RI_aug-DZVP-MOLOPT-ae_N_RI_078_s_p_d_f_g_h_i_7_6_5_4_0_0_0_error_1.2e-05
22
1 0 0 1 1
0.0921598034 1.0000000000
2 0 0 1 1
0.2549440642 1.0000000000
3 0 0 1 1
1.1168644756 1.0000000000
4 0 0 1 1
3.0521659816 1.0000000000
5 0 0 1 1
9.0107234064 1.0000000000
6 0 0 1 1
35.1532849666 1.0000000000
7 0 0 1 1
159.3312262806 1.0000000000
8 1 1 1 1
0.1074788166 1.0000000000
9 1 1 1 1
0.2778720506 1.0000000000
10 1 1 1 1
0.7227311939 1.0000000000
11 1 1 1 1
2.1988035487 1.0000000000
12 1 1 1 1
6.2219867834 1.0000000000
13 1 1 1 1
40.1040437401 1.0000000000
14 2 2 1 1
0.1884075885 1.0000000000
15 2 2 1 1
0.5298643845 1.0000000000
16 2 2 1 1
1.4887968574 1.0000000000
17 2 2 1 1
4.0984201700 1.0000000000
18 2 2 1 1
15.3142525744 1.0000000000
19 3 3 1 1
0.1243841909 1.0000000000
20 3 3 1 1
0.2672994767 1.0000000000
21 3 3 1 1
0.7121912126 1.0000000000
22 3 3 1 1
2.8995781052 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 5.2e-06
Mg RI_aug-DZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_5.2e-06
26
1 0 0 1 1
0.0915334733 1.0000000000
2 0 0 1 1
0.3088832963 1.0000000000
3 0 0 1 1
0.9828741222 1.0000000000
4 0 0 1 1
2.6900845553 1.0000000000
5 0 0 1 1
8.6598496317 1.0000000000
6 0 0 1 1
32.2052584150 1.0000000000
7 0 0 1 1
129.9084981333 1.0000000000
8 1 1 1 1
0.1153545866 1.0000000000
9 1 1 1 1
0.2508597405 1.0000000000
10 1 1 1 1
0.7181941383 1.0000000000
11 1 1 1 1
2.0539463997 1.0000000000
12 1 1 1 1
6.1476632948 1.0000000000
13 1 1 1 1
41.9201386813 1.0000000000
14 2 2 1 1
0.1966578143 1.0000000000
15 2 2 1 1
0.4585503822 1.0000000000
16 2 2 1 1
1.7500878482 1.0000000000
17 2 2 1 1
4.0782194048 1.0000000000
18 2 2 1 1
18.2299210175 1.0000000000
19 3 3 1 1
0.1338459290 1.0000000000
20 3 3 1 1
0.3082687404 1.0000000000
21 3 3 1 1
0.7131538177 1.0000000000
22 3 3 1 1
1.5922483256 1.0000000000
23 3 3 1 1
4.0819812836 1.0000000000
24 4 4 1 1
0.1580287875 1.0000000000
25 4 4 1 1
0.3898881352 1.0000000000
26 4 4 1 1
0.9376332299 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 4.3e-02
Mg RI_aug-TZVP-MOLOPT-ae_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_4.3e-02
11
1 0 0 1 1
0.0900463612 1.0000000000
2 0 0 1 1
0.3215677672 1.0000000000
3 0 0 1 1
1.1465293418 1.0000000000
4 0 0 1 1
5.3198961236 1.0000000000
5 0 0 1 1
37.0111871045 1.0000000000
6 0 0 1 1
181.1258800064 1.0000000000
7 1 1 1 1
0.2039372996 1.0000000000
8 1 1 1 1
1.2009675039 1.0000000000
9 1 1 1 1
8.5538835478 1.0000000000
10 2 2 1 1
0.3810609557 1.0000000000
11 2 2 1 1
6.7865536540 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 9.2e-03
Mg RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_3_3_2_0_0_0_error_9.2e-03
14
1 0 0 1 1
0.0945633007 1.0000000000
2 0 0 1 1
0.3505014859 1.0000000000
3 0 0 1 1
1.4059808254 1.0000000000
4 0 0 1 1
5.8459986429 1.0000000000
5 0 0 1 1
34.4121975385 1.0000000000
6 0 0 1 1
177.1057440086 1.0000000000
7 1 1 1 1
0.2582398392 1.0000000000
8 1 1 1 1
1.0938484137 1.0000000000
9 1 1 1 1
4.6280827446 1.0000000000
10 2 2 1 1
0.2549053785 1.0000000000
11 2 2 1 1
2.8208884451 1.0000000000
12 2 2 1 1
10.5220420116 1.0000000000
13 3 3 1 1
0.1231694970 1.0000000000
14 3 3 1 1
5.6905416713 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 3.4e-03
Mg RI_aug-TZVP-MOLOPT-ae_N_RI_047_s_p_d_f_g_h_i_6_4_3_2_0_0_0_error_3.4e-03
15
1 0 0 1 1
0.0807318273 1.0000000000
2 0 0 1 1
0.3607080557 1.0000000000
3 0 0 1 1
1.7726657987 1.0000000000
4 0 0 1 1
6.3543059728 1.0000000000
5 0 0 1 1
33.3080906915 1.0000000000
6 0 0 1 1
175.4152751927 1.0000000000
7 1 1 1 1
0.1762582677 1.0000000000
8 1 1 1 1
0.5898857582 1.0000000000
9 1 1 1 1
2.1623019015 1.0000000000
10 1 1 1 1
6.6132134070 1.0000000000
11 2 2 1 1
0.2631207100 1.0000000000
12 2 2 1 1
3.1471670963 1.0000000000
13 2 2 1 1
11.3381027406 1.0000000000
14 3 3 1 1
0.1972434468 1.0000000000
15 3 3 1 1
4.1486947963 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 1.3e-03
Mg RI_aug-TZVP-MOLOPT-ae_N_RI_052_s_p_d_f_g_h_i_6_4_4_2_0_0_0_error_1.3e-03
16
1 0 0 1 1
0.1049394101 1.0000000000
2 0 0 1 1
0.3697770525 1.0000000000
3 0 0 1 1
1.8020051942 1.0000000000
4 0 0 1 1
6.9065842203 1.0000000000
5 0 0 1 1
33.1808900405 1.0000000000
6 0 0 1 1
136.4209046167 1.0000000000
7 1 1 1 1
0.1607319451 1.0000000000
8 1 1 1 1
0.5766075538 1.0000000000
9 1 1 1 1
3.1378317419 1.0000000000
10 1 1 1 1
7.7737029546 1.0000000000
11 2 2 1 1
0.1927367938 1.0000000000
12 2 2 1 1
0.6271928592 1.0000000000
13 2 2 1 1
3.4786445912 1.0000000000
14 2 2 1 1
13.4453629175 1.0000000000
15 3 3 1 1
0.2256699148 1.0000000000
16 3 3 1 1
4.6711872048 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 5.3e-04
Mg RI_aug-TZVP-MOLOPT-ae_N_RI_059_s_p_d_f_g_h_i_7_6_4_2_0_0_0_error_5.3e-04
19
1 0 0 1 1
0.1008712609 1.0000000000
2 0 0 1 1
0.2616218517 1.0000000000
3 0 0 1 1
0.9234600155 1.0000000000
4 0 0 1 1
2.6004089264 1.0000000000
5 0 0 1 1
9.1431015549 1.0000000000
6 0 0 1 1
38.9230934289 1.0000000000
7 0 0 1 1
169.2347259835 1.0000000000
8 1 1 1 1
0.1456856908 1.0000000000
9 1 1 1 1
0.2590353369 1.0000000000
10 1 1 1 1
0.8235460980 1.0000000000
11 1 1 1 1
3.1254892851 1.0000000000
12 1 1 1 1
9.3105248797 1.0000000000
13 1 1 1 1
37.7415552162 1.0000000000
14 2 2 1 1
0.1893556836 1.0000000000
15 2 2 1 1
0.4984471141 1.0000000000
16 2 2 1 1
3.8521323155 1.0000000000
17 2 2 1 1
13.0285006636 1.0000000000
18 3 3 1 1
0.1862912535 1.0000000000
19 3 3 1 1
4.9147198489 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 2.0e-04
Mg RI_aug-TZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_7_6_4_3_0_0_0_error_2.0e-04
20
1 0 0 1 1
0.0924411082 1.0000000000
2 0 0 1 1
0.3019863237 1.0000000000
3 0 0 1 1
1.0517562816 1.0000000000
4 0 0 1 1
2.2986925386 1.0000000000
5 0 0 1 1
6.8688442140 1.0000000000
6 0 0 1 1
31.9630629038 1.0000000000
7 0 0 1 1
135.4299514969 1.0000000000
8 1 1 1 1
0.1437338299 1.0000000000
9 1 1 1 1
0.2348304171 1.0000000000
10 1 1 1 1
0.7553032479 1.0000000000
11 1 1 1 1
3.3180086275 1.0000000000
12 1 1 1 1
8.4047930569 1.0000000000
13 1 1 1 1
33.4834208541 1.0000000000
14 2 2 1 1
0.1944828850 1.0000000000
15 2 2 1 1
0.5742485726 1.0000000000
16 2 2 1 1
3.9301985996 1.0000000000
17 2 2 1 1
14.4974381540 1.0000000000
18 3 3 1 1
0.1664793604 1.0000000000
19 3 3 1 1
1.2700364129 1.0000000000
20 3 3 1 1
5.1945360810 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 9.0e-05
Mg RI_aug-TZVP-MOLOPT-ae_N_RI_071_s_p_d_f_g_h_i_7_6_5_3_0_0_0_error_9.0e-05
21
1 0 0 1 1
0.0950484821 1.0000000000
2 0 0 1 1
0.3157392173 1.0000000000
3 0 0 1 1
1.0589223461 1.0000000000
4 0 0 1 1
2.2569676311 1.0000000000
5 0 0 1 1
6.5045804595 1.0000000000
6 0 0 1 1
29.7639527205 1.0000000000
7 0 0 1 1
122.0503179560 1.0000000000
8 1 1 1 1
0.1449412227 1.0000000000
9 1 1 1 1
0.2307484695 1.0000000000
10 1 1 1 1
0.7629427145 1.0000000000
11 1 1 1 1
3.3374827761 1.0000000000
12 1 1 1 1
8.3701172600 1.0000000000
13 1 1 1 1
32.7062070210 1.0000000000
14 2 2 1 1
0.1659327766 1.0000000000
15 2 2 1 1
0.2193811957 1.0000000000
16 2 2 1 1
0.6757946683 1.0000000000
17 2 2 1 1
3.7789512949 1.0000000000
18 2 2 1 1
15.4577080233 1.0000000000
19 3 3 1 1
0.1661257849 1.0000000000
20 3 3 1 1
1.3158907160 1.0000000000
21 3 3 1 1
5.8040188033 1.0000000000
# RI basis set for Mg (all-electron) relative DI metric: 2.6e-05
Mg RI_aug-TZVP-MOLOPT-ae_N_RI_090_s_p_d_f_g_h_i_7_6_6_5_0_0_0_error_2.6e-05
24
1 0 0 1 1
0.0910873725 1.0000000000
2 0 0 1 1
0.2059114342 1.0000000000
3 0 0 1 1
0.5882445179 1.0000000000
4 0 0 1 1
2.2281449146 1.0000000000
5 0 0 1 1
6.5241541795 1.0000000000
6 0 0 1 1
20.2128503623 1.0000000000
7 0 0 1 1
86.8546542699 1.0000000000
8 1 1 1 1
0.1322023321 1.0000000000
9 1 1 1 1
0.2948928829 1.0000000000
10 1 1 1 1
0.9346882293 1.0000000000
11 1 1 1 1
2.9717978859 1.0000000000
12 1 1 1 1
8.8661705071 1.0000000000
13 1 1 1 1
30.2675321255 1.0000000000
14 2 2 1 1
0.0944317472 1.0000000000
15 2 2 1 1
0.2144536826 1.0000000000
16 2 2 1 1
0.6316990879 1.0000000000
17 2 2 1 1
2.4115603333 1.0000000000
18 2 2 1 1
3.7617507575 1.0000000000
19 2 2 1 1
17.9916478363 1.0000000000
20 3 3 1 1
0.1174856034 1.0000000000
21 3 3 1 1
0.2491566148 1.0000000000
22 3 3 1 1
0.7326217199 1.0000000000
23 3 3 1 1
1.6605571684 1.0000000000
24 3 3 1 1
5.5136554193 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 3.5e-07
Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.5e-07
5
1 0 0 1 1
0.1221492443 1.0000000000
2 0 0 1 1
0.3830916447 1.0000000000
3 0 0 1 1
1.8151792082 1.0000000000
4 1 1 1 1
0.1891407366 1.0000000000
5 1 1 1 1
0.3908787346 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 2.0e-09
Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_6_5_0_0_0_0_0_error_2.0e-09
11
1 0 0 1 1
0.1500000000 1.0000000000
2 0 0 1 1
0.2595287582 1.0000000000
3 0 0 1 1
0.4490345088 1.0000000000
4 0 0 1 1
0.7769157897 1.0000000000
5 0 0 1 1
1.3442132673 1.0000000000
6 0 0 1 1
2.3257466667 1.0000000000
7 1 1 1 1
0.1500000000 1.0000000000
8 1 1 1 1
0.2976521652 1.0000000000
9 1 1 1 1
0.5906454097 1.0000000000
10 1 1 1 1
1.1720459004 1.0000000000
11 1 1 1 1
2.3257466667 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 5.0e-11
Al RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_7_6_0_0_0_0_0_error_5.0e-11
13
1 0 0 1 1
0.1500000000 1.0000000000
2 0 0 1 1
0.2368662132 1.0000000000
3 0 0 1 1
0.3740373532 1.0000000000
4 0 0 1 1
0.5906454097 1.0000000000
5 0 0 1 1
0.9326929438 1.0000000000
6 0 0 1 1
1.4728229714 1.0000000000
7 0 0 1 1
2.3257466667 1.0000000000
8 1 1 1 1
0.1500000000 1.0000000000
9 1 1 1 1
0.2595287582 1.0000000000
10 1 1 1 1
0.4490345088 1.0000000000
11 1 1 1 1
0.7769157897 1.0000000000
12 1 1 1 1
1.3442132673 1.0000000000
13 1 1 1 1
2.3257466667 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.8e-02
Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_1.8e-02
9
1 0 0 1 1
0.2354377070 1.0000000000
2 0 0 1 1
0.6702615016 1.0000000000
3 0 0 1 1
4.3280076412 1.0000000000
4 0 0 1 1
30.2388576387 1.0000000000
5 0 0 1 1
207.3210767741 1.0000000000
6 1 1 1 1
0.2065353692 1.0000000000
7 1 1 1 1
2.7339008535 1.0000000000
8 1 1 1 1
38.5567197290 1.0000000000
9 2 2 1 1
0.3187332304 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 3.2e-03
Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_3.2e-03
12
1 0 0 1 1
0.1720518340 1.0000000000
2 0 0 1 1
0.4591546019 1.0000000000
3 0 0 1 1
2.0568073867 1.0000000000
4 0 0 1 1
9.5872325965 1.0000000000
5 0 0 1 1
44.6477527392 1.0000000000
6 0 0 1 1
207.5070013708 1.0000000000
7 1 1 1 1
0.2028190370 1.0000000000
8 1 1 1 1
1.1159010943 1.0000000000
9 1 1 1 1
8.3481944208 1.0000000000
10 1 1 1 1
52.8549801739 1.0000000000
11 2 2 1 1
0.3631853836 1.0000000000
12 3 3 1 1
0.7818307706 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 2.3e-04
Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_2.3e-04
13
1 0 0 1 1
0.1555244457 1.0000000000
2 0 0 1 1
0.3585786588 1.0000000000
3 0 0 1 1
1.2384859781 1.0000000000
4 0 0 1 1
4.4497291466 1.0000000000
5 0 0 1 1
16.0368740334 1.0000000000
6 0 0 1 1
57.7054709464 1.0000000000
7 0 0 1 1
207.5330554143 1.0000000000
8 1 1 1 1
0.1888730932 1.0000000000
9 1 1 1 1
0.5899838420 1.0000000000
10 1 1 1 1
8.2479600572 1.0000000000
11 1 1 1 1
68.5432475405 1.0000000000
12 2 2 1 1
0.3096171362 1.0000000000
13 3 3 1 1
0.7011450216 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.4e-05
Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_1.4e-05
16
1 0 0 1 1
0.1521404407 1.0000000000
2 0 0 1 1
0.4415583501 1.0000000000
3 0 0 1 1
1.6203906010 1.0000000000
4 0 0 1 1
6.1644090841 1.0000000000
5 0 0 1 1
20.3815476330 1.0000000000
6 0 0 1 1
65.1540777830 1.0000000000
7 0 0 1 1
206.6569607810 1.0000000000
8 1 1 1 1
0.1818964967 1.0000000000
9 1 1 1 1
0.4675517310 1.0000000000
10 1 1 1 1
2.4228615807 1.0000000000
11 1 1 1 1
12.6221916724 1.0000000000
12 1 1 1 1
59.4315110768 1.0000000000
13 2 2 1 1
0.2808847185 1.0000000000
14 2 2 1 1
1.0794659306 1.0000000000
15 2 2 1 1
14.2103902629 1.0000000000
16 3 3 1 1
0.5292616794 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 3.2e-06
Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_3.2e-06
17
1 0 0 1 1
0.1804115198 1.0000000000
2 0 0 1 1
0.4545458601 1.0000000000
3 0 0 1 1
1.4866027893 1.0000000000
4 0 0 1 1
6.0159611358 1.0000000000
5 0 0 1 1
20.2758710488 1.0000000000
6 0 0 1 1
65.0589087391 1.0000000000
7 0 0 1 1
206.6247843837 1.0000000000
8 1 1 1 1
0.2416293264 1.0000000000
9 1 1 1 1
0.3802763631 1.0000000000
10 1 1 1 1
2.2345412377 1.0000000000
11 1 1 1 1
11.9745628307 1.0000000000
12 1 1 1 1
60.4376412542 1.0000000000
13 2 2 1 1
0.2723545661 1.0000000000
14 2 2 1 1
0.9893373874 1.0000000000
15 2 2 1 1
3.9677705912 1.0000000000
16 2 2 1 1
14.2293304533 1.0000000000
17 3 3 1 1
0.3670211484 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 5.9e-07
Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_056_s_p_d_f_g_h_i_7_5_4_2_0_0_0_error_5.9e-07
18
1 0 0 1 1
0.2032650008 1.0000000000
2 0 0 1 1
0.3941295881 1.0000000000
3 0 0 1 1
1.2136086846 1.0000000000
4 0 0 1 1
4.3605351856 1.0000000000
5 0 0 1 1
15.9336201008 1.0000000000
6 0 0 1 1
57.5965689536 1.0000000000
7 0 0 1 1
207.4169307033 1.0000000000
8 1 1 1 1
0.2090775754 1.0000000000
9 1 1 1 1
0.4222981189 1.0000000000
10 1 1 1 1
2.3670698446 1.0000000000
11 1 1 1 1
12.0823231554 1.0000000000
12 1 1 1 1
60.5245554030 1.0000000000
13 2 2 1 1
0.2519879090 1.0000000000
14 2 2 1 1
0.5177509558 1.0000000000
15 2 2 1 1
2.8897992713 1.0000000000
16 2 2 1 1
14.3254031724 1.0000000000
17 3 3 1 1
0.3182662517 1.0000000000
18 3 3 1 1
3.0152123180 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 2.4e-07
Al RI_aug-SZV-MOLOPT-ae-SR_N_RI_103_s_p_d_f_g_h_i_7_5_5_2_2_1_1_error_2.4e-07
23
1 0 0 1 1
0.1758134011 1.0000000000
2 0 0 1 1
0.3647349325 1.0000000000
3 0 0 1 1
1.2322719535 1.0000000000
4 0 0 1 1
4.4241731142 1.0000000000
5 0 0 1 1
16.0061134692 1.0000000000
6 0 0 1 1
57.6740514680 1.0000000000
7 0 0 1 1
207.4998394453 1.0000000000
8 1 1 1 1
0.2016433208 1.0000000000
9 1 1 1 1
0.4150270060 1.0000000000
10 1 1 1 1
2.3724636041 1.0000000000
11 1 1 1 1
12.0985399123 1.0000000000
12 1 1 1 1
60.5394264052 1.0000000000
13 2 2 1 1
0.2261776318 1.0000000000
14 2 2 1 1
0.3572058661 1.0000000000
15 2 2 1 1
1.3083693960 1.0000000000
16 2 2 1 1
4.3391784218 1.0000000000
17 2 2 1 1
14.3357558397 1.0000000000
18 3 3 1 1
0.2813743345 1.0000000000
19 3 3 1 1
2.9945209450 1.0000000000
20 4 4 1 1
0.1599539537 1.0000000000
21 4 4 1 1
1.0739288668 1.0000000000
22 5 5 1 1
0.5901435493 1.0000000000
23 6 6 1 1
0.5835397040 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 8.9e-04
Al RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_8.9e-04
11
1 0 0 1 1
0.2067172443 1.0000000000
2 0 0 1 1
0.4520040703 1.0000000000
3 0 0 1 1
1.9827618281 1.0000000000
4 0 0 1 1
9.5266136040 1.0000000000
5 0 0 1 1
44.6197145485 1.0000000000
6 0 0 1 1
207.4811068801 1.0000000000
7 1 1 1 1
0.1491943392 1.0000000000
8 1 1 1 1
0.2804925881 1.0000000000
9 1 1 1 1
8.3491768740 1.0000000000
10 2 2 1 1
0.3417349607 1.0000000000
11 3 3 1 1
1.3863267342 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 7.3e-05
Al RI_aug-SZV-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_4_1_1_1_0_0_error_7.3e-05
13
1 0 0 1 1
0.1613373956 1.0000000000
2 0 0 1 1
0.4554362209 1.0000000000
3 0 0 1 1
2.0827781878 1.0000000000
4 0 0 1 1
9.6302478776 1.0000000000
5 0 0 1 1
44.6965269772 1.0000000000
6 0 0 1 1
207.5610354002 1.0000000000
7 1 1 1 1
0.2009954304 1.0000000000
8 1 1 1 1
0.3748572902 1.0000000000
9 1 1 1 1
6.2553122689 1.0000000000
10 1 1 1 1
53.5402695283 1.0000000000
11 2 2 1 1
0.3636266559 1.0000000000
12 3 3 1 1
0.7426753919 1.0000000000
13 4 4 1 1
0.1595857001 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 2.2e-05
Al RI_aug-SZV-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_7_5_2_1_1_0_0_error_2.2e-05
16
1 0 0 1 1
0.1354684428 1.0000000000
2 0 0 1 1
0.3369389848 1.0000000000
3 0 0 1 1
1.1970775210 1.0000000000
4 0 0 1 1
4.3781437167 1.0000000000
5 0 0 1 1
15.9416275263 1.0000000000
6 0 0 1 1
57.6047755554 1.0000000000
7 0 0 1 1
207.4265569339 1.0000000000
8 1 1 1 1
0.1445237399 1.0000000000
9 1 1 1 1
0.4630589022 1.0000000000
10 1 1 1 1
1.8892298644 1.0000000000
11 1 1 1 1
11.7544456007 1.0000000000
12 1 1 1 1
60.4182055599 1.0000000000
13 2 2 1 1
0.3266844876 1.0000000000
14 2 2 1 1
12.0084519592 1.0000000000
15 3 3 1 1
0.6088857260 1.0000000000
16 4 4 1 1
1.1215509910 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.0e-05
Al RI_aug-SZV-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_1.0e-05
17
1 0 0 1 1
0.1258978784 1.0000000000
2 0 0 1 1
0.3353967231 1.0000000000
3 0 0 1 1
1.2012338661 1.0000000000
4 0 0 1 1
4.4021199682 1.0000000000
5 0 0 1 1
15.9788203809 1.0000000000
6 0 0 1 1
57.6434408248 1.0000000000
7 0 0 1 1
207.4672992066 1.0000000000
8 1 1 1 1
0.1516158471 1.0000000000
9 1 1 1 1
0.4491888332 1.0000000000
10 1 1 1 1
2.1712602597 1.0000000000
11 1 1 1 1
11.9594453014 1.0000000000
12 1 1 1 1
60.4801331394 1.0000000000
13 2 2 1 1
0.3236660642 1.0000000000
14 2 2 1 1
1.8110650057 1.0000000000
15 2 2 1 1
13.3945970021 1.0000000000
16 3 3 1 1
0.5221554384 1.0000000000
17 4 4 1 1
0.6472513927 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 6.1e-07
Al RI_aug-SZV-MOLOPT-ae_N_RI_058_s_p_d_f_g_h_i_7_5_4_1_1_0_0_error_6.1e-07
18
1 0 0 1 1
0.1251650853 1.0000000000
2 0 0 1 1
0.3427276409 1.0000000000
3 0 0 1 1
1.2186344428 1.0000000000
4 0 0 1 1
4.4275058677 1.0000000000
5 0 0 1 1
16.0095335344 1.0000000000
6 0 0 1 1
57.6763204233 1.0000000000
7 0 0 1 1
207.5022466723 1.0000000000
8 1 1 1 1
0.1413371374 1.0000000000
9 1 1 1 1
0.4337492136 1.0000000000
10 1 1 1 1
2.0873062168 1.0000000000
11 1 1 1 1
11.8811300201 1.0000000000
12 1 1 1 1
60.4320566075 1.0000000000
13 2 2 1 1
0.2105841760 1.0000000000
14 2 2 1 1
0.4847770774 1.0000000000
15 2 2 1 1
2.8669374326 1.0000000000
16 2 2 1 1
14.3348035017 1.0000000000
17 3 3 1 1
0.3694067709 1.0000000000
18 4 4 1 1
0.6467670730 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.9e-07
Al RI_aug-SZV-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_5_5_4_1_1_0_error_1.9e-07
23
1 0 0 1 1
0.1200523045 1.0000000000
2 0 0 1 1
0.3495372299 1.0000000000
3 0 0 1 1
1.2334951165 1.0000000000
4 0 0 1 1
4.4271489949 1.0000000000
5 0 0 1 1
15.9965391709 1.0000000000
6 0 0 1 1
57.6634065177 1.0000000000
7 0 0 1 1
207.4895034330 1.0000000000
8 1 1 1 1
0.1383983567 1.0000000000
9 1 1 1 1
0.4163670520 1.0000000000
10 1 1 1 1
2.2044535242 1.0000000000
11 1 1 1 1
11.8925780155 1.0000000000
12 1 1 1 1
60.4210520743 1.0000000000
13 2 2 1 1
0.1232504214 1.0000000000
14 2 2 1 1
0.3707000221 1.0000000000
15 2 2 1 1
1.2979796111 1.0000000000
16 2 2 1 1
4.3228464572 1.0000000000
17 2 2 1 1
14.3227472321 1.0000000000
18 3 3 1 1
0.2143479080 1.0000000000
19 3 3 1 1
0.4259150937 1.0000000000
20 3 3 1 1
1.1696812916 1.0000000000
21 3 3 1 1
3.0352430407 1.0000000000
22 4 4 1 1
0.6506989097 1.0000000000
23 5 5 1 1
0.5968196068 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 2.9e-02
Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_023_s_p_d_f_g_h_i_6_4_1_0_0_0_0_error_2.9e-02
11
1 0 0 1 1
0.1746910009 1.0000000000
2 0 0 1 1
0.3900658588 1.0000000000
3 0 0 1 1
1.7454687308 1.0000000000
4 0 0 1 1
9.0535801312 1.0000000000
5 0 0 1 1
44.0347083769 1.0000000000
6 0 0 1 1
206.8332063309 1.0000000000
7 1 1 1 1
0.2715571718 1.0000000000
8 1 1 1 1
1.5254479792 1.0000000000
9 1 1 1 1
8.9489539514 1.0000000000
10 1 1 1 1
48.5233360681 1.0000000000
11 2 2 1 1
0.4467425568 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.4e-02
Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_045_s_p_d_f_g_h_i_6_4_4_1_0_0_0_error_1.4e-02
15
1 0 0 1 1
0.1419489359 1.0000000000
2 0 0 1 1
0.5133638430 1.0000000000
3 0 0 1 1
2.5528037983 1.0000000000
4 0 0 1 1
12.7846860873 1.0000000000
5 0 0 1 1
58.1060952235 1.0000000000
6 0 0 1 1
255.8858902352 1.0000000000
7 1 1 1 1
0.3810469475 1.0000000000
8 1 1 1 1
2.1575979502 1.0000000000
9 1 1 1 1
12.2174151206 1.0000000000
10 1 1 1 1
69.1770967747 1.0000000000
11 2 2 1 1
0.1698458967 1.0000000000
12 2 2 1 1
0.6182586179 1.0000000000
13 2 2 1 1
2.7640245922 1.0000000000
14 2 2 1 1
11.8299755771 1.0000000000
15 3 3 1 1
0.1250839652 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 3.6e-04
Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_049_s_p_d_f_g_h_i_7_5_4_1_0_0_0_error_3.6e-04
17
1 0 0 1 1
0.1516615421 1.0000000000
2 0 0 1 1
0.3650036450 1.0000000000
3 0 0 1 1
1.2531823002 1.0000000000
4 0 0 1 1
4.4601469176 1.0000000000
5 0 0 1 1
16.0524042880 1.0000000000
6 0 0 1 1
57.7258420993 1.0000000000
7 0 0 1 1
207.5552924362 1.0000000000
8 1 1 1 1
0.1409394607 1.0000000000
9 1 1 1 1
0.3313781379 1.0000000000
10 1 1 1 1
2.0970357559 1.0000000000
11 1 1 1 1
10.8986881885 1.0000000000
12 1 1 1 1
48.8299414558 1.0000000000
13 2 2 1 1
0.1417007428 1.0000000000
14 2 2 1 1
0.4376792950 1.0000000000
15 2 2 1 1
2.7175527856 1.0000000000
16 2 2 1 1
14.1981333628 1.0000000000
17 3 3 1 1
0.2124515418 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 3.6e-05
Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_3.6e-05
19
1 0 0 1 1
0.1216894413 1.0000000000
2 0 0 1 1
0.3190961912 1.0000000000
3 0 0 1 1
1.0422646709 1.0000000000
4 0 0 1 1
4.0425181488 1.0000000000
5 0 0 1 1
15.5665162838 1.0000000000
6 0 0 1 1
57.2071058653 1.0000000000
7 0 0 1 1
207.0011037160 1.0000000000
8 1 1 1 1
0.1696366126 1.0000000000
9 1 1 1 1
0.3759102268 1.0000000000
10 1 1 1 1
1.0946565208 1.0000000000
11 1 1 1 1
4.2780209975 1.0000000000
12 1 1 1 1
16.3634756695 1.0000000000
13 1 1 1 1
60.2218011393 1.0000000000
14 2 2 1 1
0.1682886668 1.0000000000
15 2 2 1 1
0.4327167241 1.0000000000
16 2 2 1 1
1.9693959626 1.0000000000
17 2 2 1 1
9.7389882627 1.0000000000
18 3 3 1 1
0.1898088006 1.0000000000
19 4 4 1 1
0.7918944001 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.3e-05
Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_082_s_p_d_f_g_h_i_7_6_5_2_2_0_0_error_1.3e-05
22
1 0 0 1 1
0.1735791779 1.0000000000
2 0 0 1 1
0.2918912396 1.0000000000
3 0 0 1 1
0.9044668717 1.0000000000
4 0 0 1 1
3.6189891663 1.0000000000
5 0 0 1 1
14.9712913211 1.0000000000
6 0 0 1 1
56.5608323280 1.0000000000
7 0 0 1 1
206.3084577042 1.0000000000
8 1 1 1 1
0.1563921638 1.0000000000
9 1 1 1 1
0.4328423232 1.0000000000
10 1 1 1 1
0.9010722342 1.0000000000
11 1 1 1 1
3.5823013629 1.0000000000
12 1 1 1 1
15.3943574994 1.0000000000
13 1 1 1 1
59.2820251265 1.0000000000
14 2 2 1 1
0.1706543980 1.0000000000
15 2 2 1 1
0.4491207819 1.0000000000
16 2 2 1 1
1.2264744276 1.0000000000
17 2 2 1 1
4.2643415572 1.0000000000
18 2 2 1 1
14.2749270029 1.0000000000
19 3 3 1 1
0.1892059641 1.0000000000
20 3 3 1 1
2.1285327629 1.0000000000
21 4 4 1 1
0.5801088489 1.0000000000
22 4 4 1 1
1.1799200029 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 5.8e-06
Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_100_s_p_d_f_g_h_i_7_6_5_3_2_1_0_error_5.8e-06
24
1 0 0 1 1
0.1345155601 1.0000000000
2 0 0 1 1
0.3015925901 1.0000000000
3 0 0 1 1
0.9683844009 1.0000000000
4 0 0 1 1
3.8376132110 1.0000000000
5 0 0 1 1
15.3084322184 1.0000000000
6 0 0 1 1
56.9364216837 1.0000000000
7 0 0 1 1
206.7129154929 1.0000000000
8 1 1 1 1
0.1492304576 1.0000000000
9 1 1 1 1
0.3998954403 1.0000000000
10 1 1 1 1
1.0703823083 1.0000000000
11 1 1 1 1
4.1523206394 1.0000000000
12 1 1 1 1
16.1861109650 1.0000000000
13 1 1 1 1
60.0460364583 1.0000000000
14 2 2 1 1
0.1606100939 1.0000000000
15 2 2 1 1
0.4299145884 1.0000000000
16 2 2 1 1
1.2803867090 1.0000000000
17 2 2 1 1
4.3117275893 1.0000000000
18 2 2 1 1
14.3148775297 1.0000000000
19 3 3 1 1
0.1837883436 1.0000000000
20 3 3 1 1
0.7097293671 1.0000000000
21 3 3 1 1
3.0010296871 1.0000000000
22 4 4 1 1
0.2989001234 1.0000000000
23 4 4 1 1
1.5225873966 1.0000000000
24 5 5 1 1
0.5655098133 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 2.8e-06
Al RI_aug-DZVP-MOLOPT-ae-SR_N_RI_111_s_p_d_f_g_h_i_7_6_5_3_2_2_0_error_2.8e-06
25
1 0 0 1 1
0.1615768296 1.0000000000
2 0 0 1 1
0.2769309759 1.0000000000
3 0 0 1 1
0.9132210260 1.0000000000
4 0 0 1 1
3.6440605468 1.0000000000
5 0 0 1 1
15.0190039575 1.0000000000
6 0 0 1 1
56.6260505900 1.0000000000
7 0 0 1 1
206.3818651031 1.0000000000
8 1 1 1 1
0.1445022569 1.0000000000
9 1 1 1 1
0.3840193643 1.0000000000
10 1 1 1 1
1.0074717499 1.0000000000
11 1 1 1 1
3.9544767180 1.0000000000
12 1 1 1 1
15.9374812163 1.0000000000
13 1 1 1 1
59.8077477746 1.0000000000
14 2 2 1 1
0.1615384614 1.0000000000
15 2 2 1 1
0.4339744315 1.0000000000
16 2 2 1 1
1.2706604384 1.0000000000
17 2 2 1 1
4.3033579846 1.0000000000
18 2 2 1 1
14.3087228299 1.0000000000
19 3 3 1 1
0.1756745155 1.0000000000
20 3 3 1 1
0.6903218771 1.0000000000
21 3 3 1 1
3.0091975583 1.0000000000
22 4 4 1 1
0.2464186778 1.0000000000
23 4 4 1 1
1.1660823083 1.0000000000
24 5 5 1 1
0.4082664324 1.0000000000
25 5 5 1 1
0.6324307990 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 3.6e-02
Al RI_aug-DZVP-MOLOPT-ae_N_RI_019_s_p_d_f_g_h_i_4_1_1_1_0_0_0_error_3.6e-02
7
1 0 0 1 1
0.8475010084 1.0000000000
2 0 0 1 1
5.5752436714 1.0000000000
3 0 0 1 1
33.9490040805 1.0000000000
4 0 0 1 1
190.4521119670 1.0000000000
5 1 1 1 1
0.2471682915 1.0000000000
6 2 2 1 1
0.3759042603 1.0000000000
7 3 3 1 1
1.3042395869 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.4e-02
Al RI_aug-DZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_1.4e-02
12
1 0 0 1 1
0.1929692757 1.0000000000
2 0 0 1 1
0.4163925401 1.0000000000
3 0 0 1 1
1.7557810321 1.0000000000
4 0 0 1 1
9.0386746781 1.0000000000
5 0 0 1 1
44.0157338146 1.0000000000
6 0 0 1 1
206.8125929026 1.0000000000
7 1 1 1 1
0.1376178970 1.0000000000
8 1 1 1 1
0.3850881721 1.0000000000
9 1 1 1 1
4.6126043221 1.0000000000
10 1 1 1 1
43.2144591487 1.0000000000
11 2 2 1 1
0.3686849906 1.0000000000
12 3 3 1 1
0.5952661157 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 5.4e-03
Al RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_6_4_1_1_1_0_0_error_5.4e-03
13
1 0 0 1 1
0.1825682714 1.0000000000
2 0 0 1 1
0.4947302583 1.0000000000
3 0 0 1 1
2.0774882473 1.0000000000
4 0 0 1 1
9.5430170147 1.0000000000
5 0 0 1 1
44.5876299883 1.0000000000
6 0 0 1 1
207.4407159930 1.0000000000
7 1 1 1 1
0.1313219111 1.0000000000
8 1 1 1 1
0.3453740175 1.0000000000
9 1 1 1 1
4.7214964430 1.0000000000
10 1 1 1 1
39.9277800217 1.0000000000
11 2 2 1 1
0.4335064728 1.0000000000
12 3 3 1 1
0.5354421590 1.0000000000
13 4 4 1 1
0.1071744059 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 4.8e-04
Al RI_aug-DZVP-MOLOPT-ae_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_4.8e-04
17
1 0 0 1 1
0.1779944504 1.0000000000
2 0 0 1 1
0.3327316042 1.0000000000
3 0 0 1 1
1.0859394175 1.0000000000
4 0 0 1 1
4.1936321428 1.0000000000
5 0 0 1 1
15.7644953461 1.0000000000
6 0 0 1 1
57.4205182486 1.0000000000
7 0 0 1 1
207.2292165671 1.0000000000
8 1 1 1 1
0.1608058689 1.0000000000
9 1 1 1 1
0.3007202010 1.0000000000
10 1 1 1 1
2.1057529700 1.0000000000
11 1 1 1 1
11.2532907860 1.0000000000
12 1 1 1 1
51.8721874189 1.0000000000
13 2 2 1 1
0.1820173676 1.0000000000
14 2 2 1 1
0.4899885569 1.0000000000
15 2 2 1 1
7.2895422711 1.0000000000
16 3 3 1 1
0.1564622539 1.0000000000
17 4 4 1 1
0.5788995771 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 5.9e-05
Al RI_aug-DZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_6_3_1_1_0_0_error_5.9e-05
18
1 0 0 1 1
0.1239966836 1.0000000000
2 0 0 1 1
0.2875079033 1.0000000000
3 0 0 1 1
0.9861627938 1.0000000000
4 0 0 1 1
3.9937483983 1.0000000000
5 0 0 1 1
15.5501410688 1.0000000000
6 0 0 1 1
57.1983668199 1.0000000000
7 0 0 1 1
206.9934307525 1.0000000000
8 1 1 1 1
0.1236618443 1.0000000000
9 1 1 1 1
0.3136727823 1.0000000000
10 1 1 1 1
0.9681545850 1.0000000000
11 1 1 1 1
4.0566404716 1.0000000000
12 1 1 1 1
16.1891189841 1.0000000000
13 1 1 1 1
60.0725159176 1.0000000000
14 2 2 1 1
0.1618360260 1.0000000000
15 2 2 1 1
0.4839219226 1.0000000000
16 2 2 1 1
3.0884033261 1.0000000000
17 3 3 1 1
0.1661307643 1.0000000000
18 4 4 1 1
0.6737137230 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 2.9e-05
Al RI_aug-DZVP-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_5_3_1_1_0_error_2.9e-05
23
1 0 0 1 1
0.1228561948 1.0000000000
2 0 0 1 1
0.3547980858 1.0000000000
3 0 0 1 1
0.8697181359 1.0000000000
4 0 0 1 1
3.7425804603 1.0000000000
5 0 0 1 1
15.3047905302 1.0000000000
6 0 0 1 1
56.7541238979 1.0000000000
7 0 0 1 1
204.3484011601 1.0000000000
8 1 1 1 1
0.1159258272 1.0000000000
9 1 1 1 1
0.2980924018 1.0000000000
10 1 1 1 1
0.8827308321 1.0000000000
11 1 1 1 1
3.7827990223 1.0000000000
12 1 1 1 1
15.8615229081 1.0000000000
13 1 1 1 1
59.7555157906 1.0000000000
14 2 2 1 1
0.1429118724 1.0000000000
15 2 2 1 1
0.4344036631 1.0000000000
16 2 2 1 1
1.2352454296 1.0000000000
17 2 2 1 1
4.2710408979 1.0000000000
18 2 2 1 1
14.2834774729 1.0000000000
19 3 3 1 1
0.1719501546 1.0000000000
20 3 3 1 1
0.7562169338 1.0000000000
21 3 3 1 1
2.8698671041 1.0000000000
22 4 4 1 1
0.4847766919 1.0000000000
23 5 5 1 1
0.4529777996 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 4.0e-02
Al RI_aug-TZVP-MOLOPT-ae_N_RI_030_s_p_d_f_g_h_i_6_4_1_1_0_0_0_error_4.0e-02
12
1 0 0 1 1
0.1759853938 1.0000000000
2 0 0 1 1
0.4151753323 1.0000000000
3 0 0 1 1
1.9094559446 1.0000000000
4 0 0 1 1
9.3760502881 1.0000000000
5 0 0 1 1
44.4035061117 1.0000000000
6 0 0 1 1
207.2358713011 1.0000000000
7 1 1 1 1
0.3005892967 1.0000000000
8 1 1 1 1
0.9695435351 1.0000000000
9 1 1 1 1
8.4713493621 1.0000000000
10 1 1 1 1
56.7933004516 1.0000000000
11 2 2 1 1
0.3152249653 1.0000000000
12 3 3 1 1
0.5352041202 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.9e-02
Al RI_aug-TZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_7_5_1_1_1_0_0_error_1.9e-02
15
1 0 0 1 1
0.1800310300 1.0000000000
2 0 0 1 1
0.2889794459 1.0000000000
3 0 0 1 1
0.9267483447 1.0000000000
4 0 0 1 1
3.7399131803 1.0000000000
5 0 0 1 1
15.1309271475 1.0000000000
6 0 0 1 1
56.7217684649 1.0000000000
7 0 0 1 1
206.4815589622 1.0000000000
8 1 1 1 1
0.2398031858 1.0000000000
9 1 1 1 1
0.5207701192 1.0000000000
10 1 1 1 1
2.8985430802 1.0000000000
11 1 1 1 1
13.8129115097 1.0000000000
12 1 1 1 1
56.5629935713 1.0000000000
13 2 2 1 1
0.4239655696 1.0000000000
14 3 3 1 1
0.4758273178 1.0000000000
15 4 4 1 1
0.2592360415 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 5.5e-03
Al RI_aug-TZVP-MOLOPT-ae_N_RI_056_s_p_d_f_g_h_i_7_6_3_1_1_0_0_error_5.5e-03
18
1 0 0 1 1
0.1460205173 1.0000000000
2 0 0 1 1
0.2965821351 1.0000000000
3 0 0 1 1
1.0184602937 1.0000000000
4 0 0 1 1
4.0488614894 1.0000000000
5 0 0 1 1
15.5663551458 1.0000000000
6 0 0 1 1
57.1988500055 1.0000000000
7 0 0 1 1
206.9916731706 1.0000000000
8 1 1 1 1
0.1895788248 1.0000000000
9 1 1 1 1
0.3434053999 1.0000000000
10 1 1 1 1
1.0307304275 1.0000000000
11 1 1 1 1
4.1257992766 1.0000000000
12 1 1 1 1
16.2173455112 1.0000000000
13 1 1 1 1
60.0981277487 1.0000000000
14 2 2 1 1
0.2304738903 1.0000000000
15 2 2 1 1
0.8343954452 1.0000000000
16 2 2 1 1
6.5516211020 1.0000000000
17 3 3 1 1
0.3608321534 1.0000000000
18 4 4 1 1
0.4406243897 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 1.2e-03
Al RI_aug-TZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_6_3_3_1_0_0_error_1.2e-03
20
1 0 0 1 1
0.1582173800 1.0000000000
2 0 0 1 1
0.2636924522 1.0000000000
3 0 0 1 1
0.9098387045 1.0000000000
4 0 0 1 1
3.7734399575 1.0000000000
5 0 0 1 1
15.2269037374 1.0000000000
6 0 0 1 1
56.8214487057 1.0000000000
7 0 0 1 1
206.5847288483 1.0000000000
8 1 1 1 1
0.2012424973 1.0000000000
9 1 1 1 1
0.3635367493 1.0000000000
10 1 1 1 1
0.9675291571 1.0000000000
11 1 1 1 1
4.0458254031 1.0000000000
12 1 1 1 1
16.1347904753 1.0000000000
13 1 1 1 1
60.0116742880 1.0000000000
14 2 2 1 1
0.2247281375 1.0000000000
15 2 2 1 1
0.4441406718 1.0000000000
16 2 2 1 1
1.2356901303 1.0000000000
17 3 3 1 1
0.2853439862 1.0000000000
18 3 3 1 1
0.5945264259 1.0000000000
19 3 3 1 1
2.7936996353 1.0000000000
20 4 4 1 1
0.2932748019 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 5.6e-04
Al RI_aug-TZVP-MOLOPT-ae_N_RI_088_s_p_d_f_g_h_i_7_6_3_3_3_0_0_error_5.6e-04
22
1 0 0 1 1
0.1424915876 1.0000000000
2 0 0 1 1
0.3261832636 1.0000000000
3 0 0 1 1
1.1832309448 1.0000000000
4 0 0 1 1
4.3694067400 1.0000000000
5 0 0 1 1
15.9405090753 1.0000000000
6 0 0 1 1
57.6008661511 1.0000000000
7 0 0 1 1
207.4208883088 1.0000000000
8 1 1 1 1
0.1907706641 1.0000000000
9 1 1 1 1
0.2940060252 1.0000000000
10 1 1 1 1
0.8805919884 1.0000000000
11 1 1 1 1
3.3031295093 1.0000000000
12 1 1 1 1
14.3699879808 1.0000000000
13 1 1 1 1
58.3636155772 1.0000000000
14 2 2 1 1
0.1815309041 1.0000000000
15 2 2 1 1
0.4822201858 1.0000000000
16 2 2 1 1
1.7728218181 1.0000000000
17 3 3 1 1
0.2101426840 1.0000000000
18 3 3 1 1
0.4800532807 1.0000000000
19 3 3 1 1
2.3721319851 1.0000000000
20 4 4 1 1
0.1672097062 1.0000000000
21 4 4 1 1
0.4442049020 1.0000000000
22 4 4 1 1
0.8720677539 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 2.1e-04
Al RI_aug-TZVP-MOLOPT-ae_N_RI_103_s_p_d_f_g_h_i_7_6_6_3_3_0_0_error_2.1e-04
25
1 0 0 1 1
0.1602495938 1.0000000000
2 0 0 1 1
0.3708575497 1.0000000000
3 0 0 1 1
1.2379795993 1.0000000000
4 0 0 1 1
4.3935776691 1.0000000000
5 0 0 1 1
15.9556941496 1.0000000000
6 0 0 1 1
57.6156924460 1.0000000000
7 0 0 1 1
207.4362638927 1.0000000000
8 1 1 1 1
0.1757753585 1.0000000000
9 1 1 1 1
0.3154970784 1.0000000000
10 1 1 1 1
0.9351213545 1.0000000000
11 1 1 1 1
3.3470320007 1.0000000000
12 1 1 1 1
11.5416219101 1.0000000000
13 1 1 1 1
36.7084306335 1.0000000000
14 2 2 1 1
0.1855991902 1.0000000000
15 2 2 1 1
0.3626555453 1.0000000000
16 2 2 1 1
0.8216604961 1.0000000000
17 2 2 1 1
2.0454856416 1.0000000000
18 2 2 1 1
5.4412772230 1.0000000000
19 2 2 1 1
14.2815698861 1.0000000000
20 3 3 1 1
0.1405545020 1.0000000000
21 3 3 1 1
0.3070644358 1.0000000000
22 3 3 1 1
0.6239947467 1.0000000000
23 4 4 1 1
0.1980738748 1.0000000000
24 4 4 1 1
0.3849988706 1.0000000000
25 4 4 1 1
1.0675377716 1.0000000000
# RI basis set for Al (all-electron) relative DI metric: 9.4e-05
Al RI_aug-TZVP-MOLOPT-ae_N_RI_117_s_p_d_f_g_h_i_7_6_6_5_3_0_0_error_9.4e-05
27
1 0 0 1 1
0.1533697652 1.0000000000
2 0 0 1 1
0.3567686493 1.0000000000
3 0 0 1 1
1.1371332505 1.0000000000
4 0 0 1 1
4.1412636573 1.0000000000
5 0 0 1 1
15.6366262569 1.0000000000
6 0 0 1 1
57.2720680563 1.0000000000
7 0 0 1 1
207.0691524920 1.0000000000
8 1 1 1 1
0.1695023584 1.0000000000
9 1 1 1 1
0.2640729309 1.0000000000
10 1 1 1 1
0.6890440486 1.0000000000
11 1 1 1 1
2.3862673114 1.0000000000
12 1 1 1 1
8.7323376862 1.0000000000
13 1 1 1 1
28.0415787419 1.0000000000
14 2 2 1 1
0.1724224470 1.0000000000
15 2 2 1 1
0.3627986148 1.0000000000
16 2 2 1 1
0.8051010334 1.0000000000
17 2 2 1 1
1.9769804707 1.0000000000
18 2 2 1 1
5.3779339048 1.0000000000
19 2 2 1 1
14.2321938414 1.0000000000
20 3 3 1 1
0.1235040418 1.0000000000
21 3 3 1 1
0.3331293393 1.0000000000
22 3 3 1 1
0.7958932262 1.0000000000
23 3 3 1 1
1.4270938277 1.0000000000
24 3 3 1 1
2.5059035190 1.0000000000
25 4 4 1 1
0.1906813095 1.0000000000
26 4 4 1 1
0.3740899909 1.0000000000
27 4 4 1 1
1.0466606305 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 3.9e-02
Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_009_s_p_d_f_g_h_i_3_2_0_0_0_0_0_error_3.9e-02
5
1 0 0 1 1
0.2646431963 1.0000000000
2 0 0 1 1
0.5763701985 1.0000000000
3 0 0 1 1
1.1065458541 1.0000000000
4 1 1 1 1
0.2723303396 1.0000000000
5 1 1 1 1
0.4922516821 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 2.4e-03
Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_2.4e-03
6
1 0 0 1 1
0.2342917848 1.0000000000
2 0 0 1 1
0.5274621214 1.0000000000
3 0 0 1 1
1.4899502774 1.0000000000
4 1 1 1 1
0.1648281349 1.0000000000
5 1 1 1 1
0.5364102357 1.0000000000
6 2 2 1 1
0.3865257808 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 7.4e-05
Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_020_s_p_d_f_g_h_i_4_2_2_0_0_0_0_error_7.4e-05
8
1 0 0 1 1
0.1870880444 1.0000000000
2 0 0 1 1
0.4280364717 1.0000000000
3 0 0 1 1
0.9265276410 1.0000000000
4 0 0 1 1
2.1259615747 1.0000000000
5 1 1 1 1
0.1619599640 1.0000000000
6 1 1 1 1
0.4822186340 1.0000000000
7 2 2 1 1
0.2046478549 1.0000000000
8 2 2 1 1
0.6536273161 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 5.7e-07
Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_5_2_2_0_0_0_0_error_5.7e-07
9
1 0 0 1 1
0.1960034633 1.0000000000
2 0 0 1 1
0.3807565845 1.0000000000
3 0 0 1 1
0.7330966318 1.0000000000
4 0 0 1 1
1.3512761937 1.0000000000
5 0 0 1 1
2.4540927727 1.0000000000
6 1 1 1 1
0.2618934571 1.0000000000
7 1 1 1 1
0.4646386425 1.0000000000
8 2 2 1 1
0.2204279916 1.0000000000
9 2 2 1 1
0.5718799572 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 2.5e-07
Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_033_s_p_d_f_g_h_i_6_4_3_0_0_0_0_error_2.5e-07
13
1 0 0 1 1
0.2250793212 1.0000000000
2 0 0 1 1
0.3632431600 1.0000000000
3 0 0 1 1
0.5862172476 1.0000000000
4 0 0 1 1
0.9461024868 1.0000000000
5 0 0 1 1
1.5269874132 1.0000000000
6 0 0 1 1
2.4645868515 1.0000000000
7 1 1 1 1
0.2264471398 1.0000000000
8 1 1 1 1
0.5002911258 1.0000000000
9 1 1 1 1
1.1089267037 1.0000000000
10 1 1 1 1
2.4638698398 1.0000000000
11 2 2 1 1
0.2221866093 1.0000000000
12 2 2 1 1
0.6654385237 1.0000000000
13 2 2 1 1
2.4473404638 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 4.8e-08
Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_039_s_p_d_f_g_h_i_7_4_4_0_0_0_0_error_4.8e-08
15
1 0 0 1 1
0.2250000000 1.0000000000
2 0 0 1 1
0.3353067085 1.0000000000
3 0 0 1 1
0.4996915055 1.0000000000
4 0 0 1 1
0.7446662843 1.0000000000
5 0 0 1 1
1.1097404476 1.0000000000
6 0 0 1 1
1.6537929632 1.0000000000
7 0 0 1 1
2.4645683333 1.0000000000
8 1 1 1 1
0.2250000014 1.0000000000
9 1 1 1 1
0.4996915059 1.0000000000
10 1 1 1 1
1.1097404468 1.0000000000
11 1 1 1 1
2.4645683327 1.0000000000
12 2 2 1 1
0.2250000000 1.0000000000
13 2 2 1 1
0.4996915055 1.0000000000
14 2 2 1 1
1.1097404476 1.0000000000
15 2 2 1 1
2.4645683333 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 7.9e-09
Si RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_7.9e-09
16
1 0 0 1 1
0.2250000000 1.0000000000
2 0 0 1 1
0.3353067085 1.0000000000
3 0 0 1 1
0.4996915055 1.0000000000
4 0 0 1 1
0.7446662843 1.0000000000
5 0 0 1 1
1.1097404476 1.0000000000
6 0 0 1 1
1.6537929632 1.0000000000
7 0 0 1 1
2.4645683333 1.0000000000
8 1 1 1 1
0.2250000000 1.0000000000
9 1 1 1 1
0.4093286137 1.0000000000
10 1 1 1 1
0.7446662843 1.0000000000
11 1 1 1 1
1.3547254125 1.0000000000
12 1 1 1 1
2.4645683333 1.0000000000
13 2 2 1 1
0.2250000000 1.0000000000
14 2 2 1 1
0.4996915055 1.0000000000
15 2 2 1 1
1.1097404476 1.0000000000
16 2 2 1 1
2.4645683333 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 2.7e-02
Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_019_s_p_d_f_g_h_i_5_3_1_0_0_0_0_error_2.7e-02
9
1 0 0 1 1
0.2668401934 1.0000000000
2 0 0 1 1
0.7290121777 1.0000000000
3 0 0 1 1
4.8169304251 1.0000000000
4 0 0 1 1
34.9688885642 1.0000000000
5 0 0 1 1
243.1643203396 1.0000000000
6 1 1 1 1
0.3392174348 1.0000000000
7 1 1 1 1
3.7162842654 1.0000000000
8 1 1 1 1
38.5929458711 1.0000000000
9 2 2 1 1
0.4824179975 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 1.1e-03
Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_034_s_p_d_f_g_h_i_7_5_1_1_0_0_0_error_1.1e-03
14
1 0 0 1 1
0.2242605179 1.0000000000
2 0 0 1 1
0.5818150370 1.0000000000
3 0 0 1 1
1.9868210375 1.0000000000
4 0 0 1 1
7.3289544039 1.0000000000
5 0 0 1 1
23.9952432630 1.0000000000
6 0 0 1 1
76.5634505393 1.0000000000
7 0 0 1 1
243.3076814010 1.0000000000
8 1 1 1 1
0.2480835833 1.0000000000
9 1 1 1 1
0.7529647539 1.0000000000
10 1 1 1 1
2.6923177670 1.0000000000
11 1 1 1 1
9.5613535147 1.0000000000
12 1 1 1 1
33.7399673920 1.0000000000
13 2 2 1 1
0.3832332989 1.0000000000
14 3 3 1 1
0.3342848887 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 1.0e-04
Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_053_s_p_d_f_g_h_i_7_5_3_1_1_0_0_error_1.0e-04
17
1 0 0 1 1
0.2269571353 1.0000000000
2 0 0 1 1
0.4789108490 1.0000000000
3 0 0 1 1
1.5066946215 1.0000000000
4 0 0 1 1
5.1901385874 1.0000000000
5 0 0 1 1
18.7041457908 1.0000000000
6 0 0 1 1
67.5303169257 1.0000000000
7 0 0 1 1
243.8295019860 1.0000000000
8 1 1 1 1
0.2219894472 1.0000000000
9 1 1 1 1
0.5167637810 1.0000000000
10 1 1 1 1
2.8155220035 1.0000000000
11 1 1 1 1
14.1105785999 1.0000000000
12 1 1 1 1
67.8732342262 1.0000000000
13 2 2 1 1
0.2969348431 1.0000000000
14 2 2 1 1
1.1208101564 1.0000000000
15 2 2 1 1
15.7815285571 1.0000000000
16 3 3 1 1
0.2800775652 1.0000000000
17 4 4 1 1
0.9877232823 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 6.2e-06
Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_069_s_p_d_f_g_h_i_7_5_4_1_1_1_0_error_6.2e-06
19
1 0 0 1 1
0.2249942678 1.0000000000
2 0 0 1 1
0.2843145141 1.0000000000
3 0 0 1 1
1.1704741093 1.0000000000
4 0 0 1 1
4.8841824395 1.0000000000
5 0 0 1 1
18.3518861431 1.0000000000
6 0 0 1 1
67.1529453534 1.0000000000
7 0 0 1 1
243.4279389842 1.0000000000
8 1 1 1 1
0.2481690816 1.0000000000
9 1 1 1 1
0.4048639640 1.0000000000
10 1 1 1 1
1.9532771314 1.0000000000
11 1 1 1 1
8.7985352357 1.0000000000
12 1 1 1 1
35.4533120788 1.0000000000
13 2 2 1 1
0.2358278082 1.0000000000
14 2 2 1 1
0.6198309539 1.0000000000
15 2 2 1 1
3.9033520510 1.0000000000
16 2 2 1 1
18.3280994095 1.0000000000
17 3 3 1 1
0.3756020976 1.0000000000
18 4 4 1 1
0.8517710399 1.0000000000
19 5 5 1 1
1.5446348872 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 9.6e-07
Si RI_aug-SZV-MOLOPT-ae-SR_N_RI_105_s_p_d_f_g_h_i_7_5_4_3_2_1_1_error_9.6e-07
23
1 0 0 1 1
0.2124442712 1.0000000000
2 0 0 1 1
0.4271498770 1.0000000000
3 0 0 1 1
1.4409673671 1.0000000000
4 0 0 1 1
5.1718302861 1.0000000000
5 0 0 1 1
18.6914899238 1.0000000000
6 0 0 1 1
67.5159378304 1.0000000000
7 0 0 1 1
243.8139731961 1.0000000000
8 1 1 1 1
0.2179933351 1.0000000000
9 1 1 1 1
0.5166364870 1.0000000000
10 1 1 1 1
2.8803242373 1.0000000000
11 1 1 1 1
14.1858701668 1.0000000000
12 1 1 1 1
67.9428262631 1.0000000000
13 2 2 1 1
0.2484924267 1.0000000000
14 2 2 1 1
0.6819562054 1.0000000000
15 2 2 1 1
3.7367585290 1.0000000000
16 2 2 1 1
18.9025612962 1.0000000000
17 3 3 1 1
0.2783825698 1.0000000000
18 3 3 1 1
0.9669591531 1.0000000000
19 3 3 1 1
4.3186564292 1.0000000000
20 4 4 1 1
0.2097066609 1.0000000000
21 4 4 1 1
1.2975358516 1.0000000000
22 5 5 1 1
0.7974852271 1.0000000000
23 6 6 1 1
0.7609785222 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 1.3e-02
Si RI_aug-SZV-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_7_3_1_0_0_0_0_error_1.3e-02
11
1 0 0 1 1
0.2247079981 1.0000000000
2 0 0 1 1
0.4704859104 1.0000000000
3 0 0 1 1
1.5028821939 1.0000000000
4 0 0 1 1
5.2193543489 1.0000000000
5 0 0 1 1
18.7418543706 1.0000000000
6 0 0 1 1
67.5707696130 1.0000000000
7 0 0 1 1
243.8727424005 1.0000000000
8 1 1 1 1
0.3097250172 1.0000000000
9 1 1 1 1
1.7269609387 1.0000000000
10 1 1 1 1
50.3917798237 1.0000000000
11 2 2 1 1
0.4401352998 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 5.1e-03
Si RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_5.1e-03
15
1 0 0 1 1
0.2294233533 1.0000000000
2 0 0 1 1
0.4729457920 1.0000000000
3 0 0 1 1
1.5035820303 1.0000000000
4 0 0 1 1
5.2074920672 1.0000000000
5 0 0 1 1
18.7221198220 1.0000000000
6 0 0 1 1
67.5502197548 1.0000000000
7 0 0 1 1
243.8511511495 1.0000000000
8 1 1 1 1
0.2622001317 1.0000000000
9 1 1 1 1
1.4289049217 1.0000000000
10 1 1 1 1
8.7593361140 1.0000000000
11 1 1 1 1
45.1988021254 1.0000000000
12 2 2 1 1
0.4698603421 1.0000000000
13 2 2 1 1
1.0161836168 1.0000000000
14 2 2 1 1
18.4106454400 1.0000000000
15 3 3 1 1
0.8119225063 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 5.1e-04
Si RI_aug-SZV-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_5.1e-04
16
1 0 0 1 1
0.1652651257 1.0000000000
2 0 0 1 1
0.4078700943 1.0000000000
3 0 0 1 1
1.4425935929 1.0000000000
4 0 0 1 1
5.1836933961 1.0000000000
5 0 0 1 1
18.7053520824 1.0000000000
6 0 0 1 1
67.5310986237 1.0000000000
7 0 0 1 1
243.8301232616 1.0000000000
8 1 1 1 1
0.2071376150 1.0000000000
9 1 1 1 1
0.4803734648 1.0000000000
10 1 1 1 1
2.8532674466 1.0000000000
11 1 1 1 1
14.1587767318 1.0000000000
12 1 1 1 1
67.9141710279 1.0000000000
13 2 2 1 1
0.4042843159 1.0000000000
14 2 2 1 1
1.9937010870 1.0000000000
15 2 2 1 1
18.0906973637 1.0000000000
16 3 3 1 1
0.4383282583 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 1.8e-04
Si RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_5_3_2_0_0_0_error_1.8e-04
17
1 0 0 1 1
0.2087637618 1.0000000000
2 0 0 1 1
0.4045052402 1.0000000000
3 0 0 1 1
1.4274445226 1.0000000000
4 0 0 1 1
5.1696092823 1.0000000000
5 0 0 1 1
18.6907606858 1.0000000000
6 0 0 1 1
67.5152658192 1.0000000000
7 0 0 1 1
243.8131200907 1.0000000000
8 1 1 1 1
0.2742518198 1.0000000000
9 1 1 1 1
0.4494911856 1.0000000000
10 1 1 1 1
2.8080193638 1.0000000000
11 1 1 1 1
14.1090990929 1.0000000000
12 1 1 1 1
67.8684386318 1.0000000000
13 2 2 1 1
0.3002919645 1.0000000000
14 2 2 1 1
0.8304579224 1.0000000000
15 2 2 1 1
16.9043160026 1.0000000000
16 3 3 1 1
0.4197878303 1.0000000000
17 3 3 1 1
4.1567115861 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 7.9e-05
Si RI_aug-SZV-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_6_3_3_1_1_0_error_7.9e-05
21
1 0 0 1 1
0.1796843985 1.0000000000
2 0 0 1 1
0.3425238110 1.0000000000
3 0 0 1 1
1.3772654852 1.0000000000
4 0 0 1 1
5.1398558926 1.0000000000
5 0 0 1 1
18.6603830739 1.0000000000
6 0 0 1 1
67.4822298538 1.0000000000
7 0 0 1 1
243.7776731804 1.0000000000
8 1 1 1 1
0.2098726365 1.0000000000
9 1 1 1 1
0.4792057601 1.0000000000
10 1 1 1 1
1.5731133647 1.0000000000
11 1 1 1 1
5.5512751730 1.0000000000
12 1 1 1 1
19.4462302552 1.0000000000
13 1 1 1 1
67.9610913225 1.0000000000
14 2 2 1 1
0.2599241803 1.0000000000
15 2 2 1 1
0.8295508477 1.0000000000
16 2 2 1 1
15.4027659484 1.0000000000
17 3 3 1 1
0.3178592704 1.0000000000
18 3 3 1 1
0.9557109840 1.0000000000
19 3 3 1 1
4.2992041178 1.0000000000
20 4 4 1 1
0.9998431863 1.0000000000
21 5 5 1 1
0.8432105206 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 5.0e-03
Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_5.0e-03
15
1 0 0 1 1
0.1843011473 1.0000000000
2 0 0 1 1
0.5065166369 1.0000000000
3 0 0 1 1
2.0969693993 1.0000000000
4 0 0 1 1
10.5636397625 1.0000000000
5 0 0 1 1
51.4872028398 1.0000000000
6 0 0 1 1
242.9987707061 1.0000000000
7 1 1 1 1
0.2986051483 1.0000000000
8 1 1 1 1
0.6218638942 1.0000000000
9 1 1 1 1
2.6099729704 1.0000000000
10 1 1 1 1
13.6575352484 1.0000000000
11 1 1 1 1
67.4303473069 1.0000000000
12 2 2 1 1
0.3094232740 1.0000000000
13 2 2 1 1
1.5055132848 1.0000000000
14 2 2 1 1
12.7241483286 1.0000000000
15 3 3 1 1
0.5302519482 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 1.1e-04
Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_1.1e-04
19
1 0 0 1 1
0.2062138331 1.0000000000
2 0 0 1 1
0.3671467361 1.0000000000
3 0 0 1 1
1.2834394708 1.0000000000
4 0 0 1 1
5.0222127811 1.0000000000
5 0 0 1 1
18.5774517926 1.0000000000
6 0 0 1 1
67.4030502593 1.0000000000
7 0 0 1 1
243.6922751643 1.0000000000
8 1 1 1 1
0.2701146257 1.0000000000
9 1 1 1 1
0.4362312684 1.0000000000
10 1 1 1 1
1.9837326164 1.0000000000
11 1 1 1 1
10.8114198983 1.0000000000
12 1 1 1 1
64.1028586622 1.0000000000
13 2 2 1 1
0.3001440778 1.0000000000
14 2 2 1 1
0.5478853346 1.0000000000
15 2 2 1 1
3.1630732933 1.0000000000
16 2 2 1 1
18.3983279143 1.0000000000
17 3 3 1 1
0.3183947450 1.0000000000
18 3 3 1 1
1.0419806461 1.0000000000
19 4 4 1 1
0.4041851474 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 4.5e-05
Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_4.5e-05
20
1 0 0 1 1
0.2153518647 1.0000000000
2 0 0 1 1
0.3694716660 1.0000000000
3 0 0 1 1
1.2150382776 1.0000000000
4 0 0 1 1
4.7958281713 1.0000000000
5 0 0 1 1
18.2833596352 1.0000000000
6 0 0 1 1
67.0875145108 1.0000000000
7 0 0 1 1
243.3572275543 1.0000000000
8 1 1 1 1
0.2639754096 1.0000000000
9 1 1 1 1
0.4601564575 1.0000000000
10 1 1 1 1
1.4963716433 1.0000000000
11 1 1 1 1
5.4101466978 1.0000000000
12 1 1 1 1
19.3038897956 1.0000000000
13 1 1 1 1
67.8277590293 1.0000000000
14 2 2 1 1
0.2639784300 1.0000000000
15 2 2 1 1
0.5520111573 1.0000000000
16 2 2 1 1
3.0966631520 1.0000000000
17 2 2 1 1
18.2940243116 1.0000000000
18 3 3 1 1
0.3274581904 1.0000000000
19 3 3 1 1
0.8414769720 1.0000000000
20 4 4 1 1
0.3489091707 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 1.8e-05
Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_080_s_p_d_f_g_h_i_7_6_5_3_1_0_0_error_1.8e-05
22
1 0 0 1 1
0.2191207275 1.0000000000
2 0 0 1 1
0.3292964898 1.0000000000
3 0 0 1 1
1.0576706158 1.0000000000
4 0 0 1 1
4.2418571022 1.0000000000
5 0 0 1 1
17.5338505100 1.0000000000
6 0 0 1 1
66.2970662752 1.0000000000
7 0 0 1 1
242.5203402395 1.0000000000
8 1 1 1 1
0.2002048116 1.0000000000
9 1 1 1 1
0.5381907986 1.0000000000
10 1 1 1 1
1.3849307477 1.0000000000
11 1 1 1 1
5.2303465145 1.0000000000
12 1 1 1 1
19.1200651460 1.0000000000
13 1 1 1 1
67.6457438401 1.0000000000
14 2 2 1 1
0.2384399860 1.0000000000
15 2 2 1 1
0.5500900068 1.0000000000
16 2 2 1 1
1.5864493931 1.0000000000
17 2 2 1 1
5.5706392360 1.0000000000
18 2 2 1 1
18.8791068881 1.0000000000
19 3 3 1 1
0.2634741496 1.0000000000
20 3 3 1 1
0.6934743347 1.0000000000
21 3 3 1 1
4.1317352771 1.0000000000
22 4 4 1 1
0.3219403731 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 8.8e-06
Si RI_aug-DZVP-MOLOPT-ae-SR_N_RI_094_s_p_d_f_g_h_i_7_6_5_5_1_0_0_error_8.8e-06
24
1 0 0 1 1
0.2262003190 1.0000000000
2 0 0 1 1
0.3185014807 1.0000000000
3 0 0 1 1
1.0563751670 1.0000000000
4 0 0 1 1
4.2652345926 1.0000000000
5 0 0 1 1
17.5673821505 1.0000000000
6 0 0 1 1
66.3293470328 1.0000000000
7 0 0 1 1
242.5521014592 1.0000000000
8 1 1 1 1
0.1986128917 1.0000000000
9 1 1 1 1
0.5326163428 1.0000000000
10 1 1 1 1
1.3735214282 1.0000000000
11 1 1 1 1
5.0100564211 1.0000000000
12 1 1 1 1
18.9207423670 1.0000000000
13 1 1 1 1
67.4809041759 1.0000000000
14 2 2 1 1
0.2399887651 1.0000000000
15 2 2 1 1
0.5454024997 1.0000000000
16 2 2 1 1
1.5623656334 1.0000000000
17 2 2 1 1
5.5434690654 1.0000000000
18 2 2 1 1
18.8561519335 1.0000000000
19 3 3 1 1
0.1865709494 1.0000000000
20 3 3 1 1
0.4133695912 1.0000000000
21 3 3 1 1
0.9074010757 1.0000000000
22 3 3 1 1
1.9965059387 1.0000000000
23 3 3 1 1
4.2673343047 1.0000000000
24 4 4 1 1
0.3257400060 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 7.3e-03
Si RI_aug-DZVP-MOLOPT-ae_N_RI_043_s_p_d_f_g_h_i_6_5_3_1_0_0_0_error_7.3e-03
15
1 0 0 1 1
0.1930690656 1.0000000000
2 0 0 1 1
0.4463672377 1.0000000000
3 0 0 1 1
1.9678373575 1.0000000000
4 0 0 1 1
10.3883652787 1.0000000000
5 0 0 1 1
51.2985861681 1.0000000000
6 0 0 1 1
242.7928871781 1.0000000000
7 1 1 1 1
0.2873930029 1.0000000000
8 1 1 1 1
0.5918895462 1.0000000000
9 1 1 1 1
2.7011307313 1.0000000000
10 1 1 1 1
13.8907941322 1.0000000000
11 1 1 1 1
67.6599353183 1.0000000000
12 2 2 1 1
0.3158663255 1.0000000000
13 2 2 1 1
1.8471101071 1.0000000000
14 2 2 1 1
12.9478762654 1.0000000000
15 3 3 1 1
0.5175002308 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 2.3e-03
Si RI_aug-DZVP-MOLOPT-ae_N_RI_057_s_p_d_f_g_h_i_6_5_3_3_0_0_0_error_2.3e-03
17
1 0 0 1 1
0.1702539565 1.0000000000
2 0 0 1 1
0.4191114255 1.0000000000
3 0 0 1 1
1.8570845493 1.0000000000
4 0 0 1 1
10.0837926364 1.0000000000
5 0 0 1 1
50.9394136466 1.0000000000
6 0 0 1 1
242.4014951589 1.0000000000
7 1 1 1 1
0.2505969412 1.0000000000
8 1 1 1 1
0.5116563383 1.0000000000
9 1 1 1 1
2.6198883248 1.0000000000
10 1 1 1 1
13.8082195968 1.0000000000
11 1 1 1 1
67.5862974513 1.0000000000
12 2 2 1 1
0.1974840745 1.0000000000
13 2 2 1 1
0.8720597790 1.0000000000
14 2 2 1 1
8.2839421653 1.0000000000
15 3 3 1 1
0.3788140024 1.0000000000
16 3 3 1 1
0.8689519206 1.0000000000
17 3 3 1 1
4.3238280850 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 9.3e-04
Si RI_aug-DZVP-MOLOPT-ae_N_RI_066_s_p_d_f_g_h_i_6_5_3_3_1_0_0_error_9.3e-04
18
1 0 0 1 1
0.1847897772 1.0000000000
2 0 0 1 1
0.4184307016 1.0000000000
3 0 0 1 1
1.7439995985 1.0000000000
4 0 0 1 1
9.6030727451 1.0000000000
5 0 0 1 1
50.3171191267 1.0000000000
6 0 0 1 1
241.7209007444 1.0000000000
7 1 1 1 1
0.1936926415 1.0000000000
8 1 1 1 1
0.5503347542 1.0000000000
9 1 1 1 1
3.3983859827 1.0000000000
10 1 1 1 1
15.3235509373 1.0000000000
11 1 1 1 1
65.0272392796 1.0000000000
12 2 2 1 1
0.2144788893 1.0000000000
13 2 2 1 1
0.7764121241 1.0000000000
14 2 2 1 1
4.6697149112 1.0000000000
15 3 3 1 1
0.3470142575 1.0000000000
16 3 3 1 1
1.1653946941 1.0000000000
17 3 3 1 1
3.0630346774 1.0000000000
18 4 4 1 1
0.7358443877 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 9.4e-05
Si RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_6_3_3_1_0_0_error_9.4e-05
20
1 0 0 1 1
0.1651235610 1.0000000000
2 0 0 1 1
0.3357758073 1.0000000000
3 0 0 1 1
1.1322659891 1.0000000000
4 0 0 1 1
4.5899049645 1.0000000000
5 0 0 1 1
18.0366580221 1.0000000000
6 0 0 1 1
66.8250038103 1.0000000000
7 0 0 1 1
243.0788552456 1.0000000000
8 1 1 1 1
0.2096215919 1.0000000000
9 1 1 1 1
0.3947346544 1.0000000000
10 1 1 1 1
1.3539767796 1.0000000000
11 1 1 1 1
5.2994958673 1.0000000000
12 1 1 1 1
19.2344491747 1.0000000000
13 1 1 1 1
67.7694972092 1.0000000000
14 2 2 1 1
0.2746520146 1.0000000000
15 2 2 1 1
0.6050154581 1.0000000000
16 2 2 1 1
6.2064276494 1.0000000000
17 3 3 1 1
0.2699008266 1.0000000000
18 3 3 1 1
0.7514565138 1.0000000000
19 3 3 1 1
4.2866224629 1.0000000000
20 4 4 1 1
0.3067086688 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 4.1e-05
Si RI_aug-DZVP-MOLOPT-ae_N_RI_080_s_p_d_f_g_h_i_7_6_5_3_1_0_0_error_4.1e-05
22
1 0 0 1 1
0.1717522483 1.0000000000
2 0 0 1 1
0.2799643418 1.0000000000
3 0 0 1 1
0.9925499448 1.0000000000
4 0 0 1 1
3.8729776242 1.0000000000
5 0 0 1 1
16.8279204306 1.0000000000
6 0 0 1 1
65.5326368556 1.0000000000
7 0 0 1 1
241.7133383578 1.0000000000
8 1 1 1 1
0.1991653386 1.0000000000
9 1 1 1 1
0.3449777697 1.0000000000
10 1 1 1 1
1.1565432149 1.0000000000
11 1 1 1 1
4.8691280187 1.0000000000
12 1 1 1 1
18.8745661972 1.0000000000
13 1 1 1 1
67.4484410080 1.0000000000
14 2 2 1 1
0.2108208287 1.0000000000
15 2 2 1 1
0.5450631359 1.0000000000
16 2 2 1 1
1.5487587346 1.0000000000
17 2 2 1 1
5.5175440359 1.0000000000
18 2 2 1 1
18.8391849945 1.0000000000
19 3 3 1 1
0.2487861066 1.0000000000
20 3 3 1 1
0.7059755144 1.0000000000
21 3 3 1 1
4.1893593308 1.0000000000
22 4 4 1 1
0.2904248227 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 7.3e-06
Si RI_aug-DZVP-MOLOPT-ae_N_RI_115_s_p_d_f_g_h_i_7_6_6_6_2_0_0_error_7.3e-06
27
1 0 0 1 1
0.1911233297 1.0000000000
2 0 0 1 1
0.3823226970 1.0000000000
3 0 0 1 1
1.1631236406 1.0000000000
4 0 0 1 1
4.7840753082 1.0000000000
5 0 0 1 1
19.5907693305 1.0000000000
6 0 0 1 1
69.5600688748 1.0000000000
7 0 0 1 1
234.5150521703 1.0000000000
8 1 1 1 1
0.1739570716 1.0000000000
9 1 1 1 1
0.3924703999 1.0000000000
10 1 1 1 1
1.1413646845 1.0000000000
11 1 1 1 1
4.4481695162 1.0000000000
12 1 1 1 1
18.4067619042 1.0000000000
13 1 1 1 1
67.0583509382 1.0000000000
14 2 2 1 1
0.2363899936 1.0000000000
15 2 2 1 1
0.5655550326 1.0000000000
16 2 2 1 1
1.3812538781 1.0000000000
17 2 2 1 1
3.3190206053 1.0000000000
18 2 2 1 1
7.9190725685 1.0000000000
19 2 2 1 1
18.8416153714 1.0000000000
20 3 3 1 1
0.1765822739 1.0000000000
21 3 3 1 1
0.3789836334 1.0000000000
22 3 3 1 1
0.6991423946 1.0000000000
23 3 3 1 1
1.2972663712 1.0000000000
24 3 3 1 1
2.3746684505 1.0000000000
25 3 3 1 1
4.3230414800 1.0000000000
26 4 4 1 1
0.1735351971 1.0000000000
27 4 4 1 1
0.3847349515 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 6.1e-03
Si RI_aug-TZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_7_5_3_1_0_0_0_error_6.1e-03
16
1 0 0 1 1
0.2015296193 1.0000000000
2 0 0 1 1
0.4239793584 1.0000000000
3 0 0 1 1
1.3684850156 1.0000000000
4 0 0 1 1
4.9907392402 1.0000000000
5 0 0 1 1
18.4635679366 1.0000000000
6 0 0 1 1
67.2669861233 1.0000000000
7 0 0 1 1
243.5469115781 1.0000000000
8 1 1 1 1
0.3280341368 1.0000000000
9 1 1 1 1
0.4641562017 1.0000000000
10 1 1 1 1
2.1096553774 1.0000000000
11 1 1 1 1
12.5794298637 1.0000000000
12 1 1 1 1
66.5085798313 1.0000000000
13 2 2 1 1
0.3741018363 1.0000000000
14 2 2 1 1
0.6205099588 1.0000000000
15 2 2 1 1
7.7699359926 1.0000000000
16 3 3 1 1
0.4771794519 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 2.2e-03
Si RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_3_3_0_0_0_error_2.2e-03
19
1 0 0 1 1
0.1816287217 1.0000000000
2 0 0 1 1
0.3386401775 1.0000000000
3 0 0 1 1
0.8791600470 1.0000000000
4 0 0 1 1
3.4097198428 1.0000000000
5 0 0 1 1
16.0220284192 1.0000000000
6 0 0 1 1
64.1203929435 1.0000000000
7 0 0 1 1
232.2062420927 1.0000000000
8 1 1 1 1
0.1832805565 1.0000000000
9 1 1 1 1
0.4164490574 1.0000000000
10 1 1 1 1
1.1760138988 1.0000000000
11 1 1 1 1
3.7606921222 1.0000000000
12 1 1 1 1
11.3673509998 1.0000000000
13 1 1 1 1
32.2288504012 1.0000000000
14 2 2 1 1
0.2800986434 1.0000000000
15 2 2 1 1
0.6324730857 1.0000000000
16 2 2 1 1
0.9581585746 1.0000000000
17 3 3 1 1
0.2576791647 1.0000000000
18 3 3 1 1
0.7151917455 1.0000000000
19 3 3 1 1
2.3399734109 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 1.0e-03
Si RI_aug-TZVP-MOLOPT-ae_N_RI_081_s_p_d_f_g_h_i_7_6_3_3_1_1_0_error_1.0e-03
21
1 0 0 1 1
0.1932446338 1.0000000000
2 0 0 1 1
0.3684863996 1.0000000000
3 0 0 1 1
1.1137758765 1.0000000000
4 0 0 1 1
4.3850536711 1.0000000000
5 0 0 1 1
17.6970692766 1.0000000000
6 0 0 1 1
66.4513374220 1.0000000000
7 0 0 1 1
242.6803413878 1.0000000000
8 1 1 1 1
0.2527956505 1.0000000000
9 1 1 1 1
0.4796783292 1.0000000000
10 1 1 1 1
1.1944309781 1.0000000000
11 1 1 1 1
4.4321715998 1.0000000000
12 1 1 1 1
18.0687414209 1.0000000000
13 1 1 1 1
66.6978884716 1.0000000000
14 2 2 1 1
0.2457896778 1.0000000000
15 2 2 1 1
0.5298644340 1.0000000000
16 2 2 1 1
1.2017704059 1.0000000000
17 3 3 1 1
0.2780543489 1.0000000000
18 3 3 1 1
0.7519949750 1.0000000000
19 3 3 1 1
3.8030536207 1.0000000000
20 4 4 1 1
0.9320262362 1.0000000000
21 5 5 1 1
0.7274774545 1.0000000000
# RI basis set for Si (all-electron) relative DI metric: 3.1e-04
Si RI_aug-TZVP-MOLOPT-ae_N_RI_104_s_p_d_f_g_h_i_7_6_4_3_3_1_0_error_3.1e-04
24
1 0 0 1 1
0.2019093195 1.0000000000
2 0 0 1 1
0.4076886133 1.0000000000
3 0 0 1 1
1.4099385723 1.0000000000
4 0 0 1 1
5.1034489304 1.0000000000
5 0 0 1 1
18.6099609911 1.0000000000
6 0 0 1 1
67.4302692876 1.0000000000
7 0 0 1 1
243.7230568055 1.0000000000
8 1 1 1 1
0.2265633716 1.0000000000
9 1 1 1 1
0.4999277990 1.0000000000
10 1 1 1 1
1.1096085599 1.0000000000
11 1 1 1 1
3.8971138669 1.0000000000
12 1 1 1 1
15.2326505103 1.0000000000
13 1 1 1 1
63.3400730891 1.0000000000
14 2 2 1 1
0.2840735491 1.0000000000
15 2 2 1 1
0.6347530395 1.0000000000
16 2 2 1 1
1.9557735736 1.0000000000
17 2 2 1 1
6.3014338454 1.0000000000
18 3 3 1 1
0.2505542359 1.0000000000
19 3 3 1 1
0.6726078078 1.0000000000
20 3 3 1 1
3.1602977319 1.0000000000
21 4 4 1 1
0.2050115993 1.0000000000
22 4 4 1 1
0.5336829465 1.0000000000
23 4 4 1 1
1.2132637505 1.0000000000
24 5 5 1 1
0.6001819968 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 3.5e-02
P RI_aug-SZV-MOLOPT-ae-mini_N_RI_006_s_p_d_f_g_h_i_3_1_0_0_0_0_0_error_3.5e-02
4
1 0 0 1 1
0.4306640332 1.0000000000
2 0 0 1 1
1.2270337739 1.0000000000
3 0 0 1 1
4.4471937308 1.0000000000
4 1 1 1 1
0.6333235789 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.7e-03
P RI_aug-SZV-MOLOPT-ae-mini_N_RI_010_s_p_d_f_g_h_i_4_2_0_0_0_0_0_error_1.7e-03
6
1 0 0 1 1
0.3524703383 1.0000000000
2 0 0 1 1
1.2412335881 1.0000000000
3 0 0 1 1
4.3709951081 1.0000000000
4 0 0 1 1
15.3924263565 1.0000000000
5 1 1 1 1
0.2632239484 1.0000000000
6 1 1 1 1
0.4890657101 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.5e-05
P RI_aug-SZV-MOLOPT-ae-mini_N_RI_015_s_p_d_f_g_h_i_4_2_1_0_0_0_0_error_1.5e-05
7
1 0 0 1 1
0.4164748724 1.0000000000
2 0 0 1 1
0.8203116026 1.0000000000
3 0 0 1 1
1.6213264475 1.0000000000
4 0 0 1 1
3.2540156631 1.0000000000
5 1 1 1 1
0.2979755017 1.0000000000
6 1 1 1 1
0.5322486009 1.0000000000
7 2 2 1 1
1.6246175929 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.6e-06
P RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_1.6e-06
8
1 0 0 1 1
0.4089055951 1.0000000000
2 0 0 1 1
0.8212934363 1.0000000000
3 0 0 1 1
1.6455370130 1.0000000000
4 0 0 1 1
3.3053487165 1.0000000000
5 1 1 1 1
0.2826116606 1.0000000000
6 1 1 1 1
0.6279290881 1.0000000000
7 1 1 1 1
2.5951581292 1.0000000000
8 2 2 1 1
1.0780338463 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 4.6e-07
P RI_aug-SZV-MOLOPT-ae-mini_N_RI_029_s_p_d_f_g_h_i_5_3_3_0_0_0_0_error_4.6e-07
11
1 0 0 1 1
0.2205299109 1.0000000000
2 0 0 1 1
0.4220977289 1.0000000000
3 0 0 1 1
0.8063816705 1.0000000000
4 0 0 1 1
1.5315248794 1.0000000000
5 0 0 1 1
2.9036118138 1.0000000000
6 1 1 1 1
0.3101107622 1.0000000000
7 1 1 1 1
0.6050255236 1.0000000000
8 1 1 1 1
2.4289279027 1.0000000000
9 2 2 1 1
0.2388184010 1.0000000000
10 2 2 1 1
0.8372292850 1.0000000000
11 2 2 1 1
2.9046195532 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 4.1e-08
P RI_aug-SZV-MOLOPT-ae-mini_N_RI_036_s_p_d_f_g_h_i_6_5_3_0_0_0_0_error_4.1e-08
14
1 0 0 1 1
0.2249999997 1.0000000000
2 0 0 1 1
0.3753015640 1.0000000000
3 0 0 1 1
0.6260056180 1.0000000000
4 0 0 1 1
1.0441817229 1.0000000000
5 0 0 1 1
1.7417023730 1.0000000000
6 0 0 1 1
2.9051716665 1.0000000000
7 1 1 1 1
0.2250000000 1.0000000000
8 1 1 1 1
0.4265106093 1.0000000000
9 1 1 1 1
0.8084946659 1.0000000000
10 1 1 1 1
1.5325846783 1.0000000000
11 1 1 1 1
2.9051716667 1.0000000000
12 2 2 1 1
0.2250000032 1.0000000000
13 2 2 1 1
0.8084946721 1.0000000000
14 2 2 1 1
2.9051716666 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.4e-08
P RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_1.4e-08
16
1 0 0 1 1
0.2250000000 1.0000000000
2 0 0 1 1
0.3446254914 1.0000000000
3 0 0 1 1
0.5278521304 1.0000000000
4 0 0 1 1
0.8084946660 1.0000000000
5 0 0 1 1
1.2383460960 1.0000000000
6 0 0 1 1
1.8967361418 1.0000000000
7 0 0 1 1
2.9051716667 1.0000000000
8 1 1 1 1
0.2250000000 1.0000000000
9 1 1 1 1
0.4265106093 1.0000000000
10 1 1 1 1
0.8084946659 1.0000000000
11 1 1 1 1
1.5325846783 1.0000000000
12 1 1 1 1
2.9051716667 1.0000000000
13 2 2 1 1
0.2250000000 1.0000000000
14 2 2 1 1
0.5278521304 1.0000000000
15 2 2 1 1
1.2383460962 1.0000000000
16 2 2 1 1
2.9051716667 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 2.5e-09
P RI_aug-SZV-MOLOPT-ae-mini_N_RI_045_s_p_d_f_g_h_i_7_6_4_0_0_0_0_error_2.5e-09
17
1 0 0 1 1
0.2250000000 1.0000000000
2 0 0 1 1
0.3446254914 1.0000000000
3 0 0 1 1
0.5278521304 1.0000000000
4 0 0 1 1
0.8084946660 1.0000000000
5 0 0 1 1
1.2383460960 1.0000000000
6 0 0 1 1
1.8967361418 1.0000000000
7 0 0 1 1
2.9051716667 1.0000000000
8 1 1 1 1
0.2250000000 1.0000000000
9 1 1 1 1
0.3753015642 1.0000000000
10 1 1 1 1
0.6260056182 1.0000000000
11 1 1 1 1
1.0441817230 1.0000000000
12 1 1 1 1
1.7417023732 1.0000000000
13 1 1 1 1
2.9051716667 1.0000000000
14 2 2 1 1
0.2250000000 1.0000000000
15 2 2 1 1
0.5278521304 1.0000000000
16 2 2 1 1
1.2383460962 1.0000000000
17 2 2 1 1
2.9051716667 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.1e-02
P RI_aug-SZV-MOLOPT-ae_N_RI_022_s_p_d_f_g_h_i_7_1_1_1_0_0_0_error_1.1e-02
10
1 0 0 1 1
0.3102846221 1.0000000000
2 0 0 1 1
0.9675410747 1.0000000000
3 0 0 1 1
2.9475660172 1.0000000000
4 0 0 1 1
9.3026367371 1.0000000000
5 0 0 1 1
29.5859283114 1.0000000000
6 0 0 1 1
94.2680229490 1.0000000000
7 0 0 1 1
300.6106628184 1.0000000000
8 1 1 1 1
0.5077267489 1.0000000000
9 2 2 1 1
0.7099333158 1.0000000000
10 3 3 1 1
1.2789537381 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 5.4e-04
P RI_aug-SZV-MOLOPT-ae_N_RI_037_s_p_d_f_g_h_i_7_6_1_1_0_0_0_error_5.4e-04
15
1 0 0 1 1
0.3371263690 1.0000000000
2 0 0 1 1
0.7577066360 1.0000000000
3 0 0 1 1
2.0166803737 1.0000000000
4 0 0 1 1
8.8851947761 1.0000000000
5 0 0 1 1
29.6614514765 1.0000000000
6 0 0 1 1
94.4262494857 1.0000000000
7 0 0 1 1
300.7677618649 1.0000000000
8 1 1 1 1
0.3636288512 1.0000000000
9 1 1 1 1
0.7207198899 1.0000000000
10 1 1 1 1
2.7498054758 1.0000000000
11 1 1 1 1
8.8425156467 1.0000000000
12 1 1 1 1
27.1070518100 1.0000000000
13 1 1 1 1
82.3519581211 1.0000000000
14 2 2 1 1
0.5430634091 1.0000000000
15 3 3 1 1
0.5399090909 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 2.2e-04
P RI_aug-SZV-MOLOPT-ae_N_RI_051_s_p_d_f_g_h_i_7_6_2_1_1_0_0_error_2.2e-04
17
1 0 0 1 1
0.2962352317 1.0000000000
2 0 0 1 1
0.6994557900 1.0000000000
3 0 0 1 1
2.3674234334 1.0000000000
4 0 0 1 1
9.0061396313 1.0000000000
5 0 0 1 1
29.5056851693 1.0000000000
6 0 0 1 1
94.2391953185 1.0000000000
7 0 0 1 1
300.5337040869 1.0000000000
8 1 1 1 1
0.3148833105 1.0000000000
9 1 1 1 1
0.5931565946 1.0000000000
10 1 1 1 1
1.8044537155 1.0000000000
11 1 1 1 1
6.5654281595 1.0000000000
12 1 1 1 1
23.3974488380 1.0000000000
13 1 1 1 1
82.5065747441 1.0000000000
14 2 2 1 1
0.4954813083 1.0000000000
15 2 2 1 1
21.2079502266 1.0000000000
16 3 3 1 1
0.5722434219 1.0000000000
17 4 4 1 1
1.7206756859 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 6.8e-05
P RI_aug-SZV-MOLOPT-ae_N_RI_067_s_p_d_f_g_h_i_7_6_3_1_1_1_0_error_6.8e-05
19
1 0 0 1 1
0.2197408869 1.0000000000
2 0 0 1 1
0.7440245829 1.0000000000
3 0 0 1 1
2.7171255840 1.0000000000
4 0 0 1 1
9.0890470561 1.0000000000
5 0 0 1 1
29.3666457485 1.0000000000
6 0 0 1 1
94.0251019769 1.0000000000
7 0 0 1 1
300.3596530679 1.0000000000
8 1 1 1 1
0.3002370034 1.0000000000
9 1 1 1 1
0.9082387333 1.0000000000
10 1 1 1 1
2.9182626764 1.0000000000
11 1 1 1 1
8.9505541889 1.0000000000
12 1 1 1 1
27.1986848528 1.0000000000
13 1 1 1 1
82.5119915559 1.0000000000
14 2 2 1 1
0.4317496326 1.0000000000
15 2 2 1 1
1.2400854978 1.0000000000
16 2 2 1 1
22.3913339292 1.0000000000
17 3 3 1 1
0.5154582526 1.0000000000
18 4 4 1 1
1.0713072883 1.0000000000
19 5 5 1 1
0.8078459226 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 2.7e-05
P RI_aug-SZV-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_2.7e-05
21
1 0 0 1 1
0.2722064555 1.0000000000
2 0 0 1 1
0.5330315885 1.0000000000
3 0 0 1 1
1.7624898454 1.0000000000
4 0 0 1 1
6.1725109615 1.0000000000
5 0 0 1 1
22.6863439704 1.0000000000
6 0 0 1 1
82.7589980581 1.0000000000
7 0 0 1 1
300.3229779979 1.0000000000
8 1 1 1 1
0.2467145205 1.0000000000
9 1 1 1 1
0.7964917146 1.0000000000
10 1 1 1 1
2.8491072865 1.0000000000
11 1 1 1 1
8.8964133181 1.0000000000
12 1 1 1 1
27.1164637044 1.0000000000
13 1 1 1 1
82.3138801135 1.0000000000
14 2 2 1 1
0.4334086448 1.0000000000
15 2 2 1 1
1.0820513620 1.0000000000
16 2 2 1 1
5.1626304606 1.0000000000
17 2 2 1 1
24.2358941350 1.0000000000
18 3 3 1 1
0.4510023851 1.0000000000
19 3 3 1 1
3.2723676238 1.0000000000
20 4 4 1 1
1.0951498170 1.0000000000
21 5 5 1 1
1.3418205458 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 5.9e-06
P RI_aug-SZV-MOLOPT-ae_N_RI_091_s_p_d_f_g_h_i_7_6_5_3_1_1_0_error_5.9e-06
23
1 0 0 1 1
0.2708480810 1.0000000000
2 0 0 1 1
0.3673400320 1.0000000000
3 0 0 1 1
1.4165168675 1.0000000000
4 0 0 1 1
6.3254704755 1.0000000000
5 0 0 1 1
24.2562734210 1.0000000000
6 0 0 1 1
85.9946334657 1.0000000000
7 0 0 1 1
297.2473311173 1.0000000000
8 1 1 1 1
0.2577333413 1.0000000000
9 1 1 1 1
0.5734554388 1.0000000000
10 1 1 1 1
1.8720767480 1.0000000000
11 1 1 1 1
6.5295281435 1.0000000000
12 1 1 1 1
23.3648118815 1.0000000000
13 1 1 1 1
82.4840618238 1.0000000000
14 2 2 1 1
0.3483808696 1.0000000000
15 2 2 1 1
0.7562074793 1.0000000000
16 2 2 1 1
2.8381768055 1.0000000000
17 2 2 1 1
8.4467792286 1.0000000000
18 2 2 1 1
24.6073427387 1.0000000000
19 3 3 1 1
0.3901840019 1.0000000000
20 3 3 1 1
1.1697220174 1.0000000000
21 3 3 1 1
5.2125652387 1.0000000000
22 4 4 1 1
1.4194706962 1.0000000000
23 5 5 1 1
1.1074917370 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 4.5e-02
P RI_aug-DZVP-MOLOPT-ae_N_RI_018_s_p_d_f_g_h_i_3_1_1_1_0_0_0_error_4.5e-02
6
1 0 0 1 1
1.9700052162 1.0000000000
2 0 0 1 1
3.8905251822 1.0000000000
3 0 0 1 1
290.5841706215 1.0000000000
4 1 1 1 1
0.4900580707 1.0000000000
5 2 2 1 1
0.6873684449 1.0000000000
6 3 3 1 1
0.7614069144 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.5e-02
P RI_aug-DZVP-MOLOPT-ae_N_RI_029_s_p_d_f_g_h_i_5_4_1_1_0_0_0_error_1.5e-02
11
1 0 0 1 1
0.4492199289 1.0000000000
2 0 0 1 1
0.5861969845 1.0000000000
3 0 0 1 1
4.1488976967 1.0000000000
4 0 0 1 1
38.6233757642 1.0000000000
5 0 0 1 1
294.5713524550 1.0000000000
6 1 1 1 1
0.3289647724 1.0000000000
7 1 1 1 1
1.4936551495 1.0000000000
8 1 1 1 1
12.4151127152 1.0000000000
9 1 1 1 1
73.3698288365 1.0000000000
10 2 2 1 1
0.5898613108 1.0000000000
11 3 3 1 1
0.7459846397 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 5.3e-03
P RI_aug-DZVP-MOLOPT-ae_N_RI_050_s_p_d_f_g_h_i_6_5_3_2_0_0_0_error_5.3e-03
16
1 0 0 1 1
0.3064438112 1.0000000000
2 0 0 1 1
0.6192778964 1.0000000000
3 0 0 1 1
2.4571678873 1.0000000000
4 0 0 1 1
12.8086519282 1.0000000000
5 0 0 1 1
63.1282009605 1.0000000000
6 0 0 1 1
299.4311408744 1.0000000000
7 1 1 1 1
0.3194813769 1.0000000000
8 1 1 1 1
1.0092042832 1.0000000000
9 1 1 1 1
5.1030245013 1.0000000000
10 1 1 1 1
20.6569909490 1.0000000000
11 1 1 1 1
79.5498182708 1.0000000000
12 2 2 1 1
0.7502124259 1.0000000000
13 2 2 1 1
1.2272801009 1.0000000000
14 2 2 1 1
23.8344248027 1.0000000000
15 3 3 1 1
0.5535225931 1.0000000000
16 3 3 1 1
4.0410788412 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.2e-03
P RI_aug-DZVP-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_6_5_4_2_1_0_0_error_1.2e-03
18
1 0 0 1 1
0.2759097431 1.0000000000
2 0 0 1 1
0.5933609998 1.0000000000
3 0 0 1 1
2.4803665668 1.0000000000
4 0 0 1 1
12.9230061786 1.0000000000
5 0 0 1 1
63.2713782271 1.0000000000
6 0 0 1 1
299.5899260175 1.0000000000
7 1 1 1 1
0.2738676172 1.0000000000
8 1 1 1 1
0.9148520528 1.0000000000
9 1 1 1 1
4.9359409442 1.0000000000
10 1 1 1 1
20.3914825302 1.0000000000
11 1 1 1 1
78.8915576114 1.0000000000
12 2 2 1 1
0.4245049967 1.0000000000
13 2 2 1 1
0.8544460219 1.0000000000
14 2 2 1 1
4.6055029616 1.0000000000
15 2 2 1 1
24.7162347519 1.0000000000
16 3 3 1 1
0.5112589718 1.0000000000
17 3 3 1 1
3.4844136453 1.0000000000
18 4 4 1 1
0.7921155406 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 5.5e-04
P RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_5.5e-04
20
1 0 0 1 1
0.2109943231 1.0000000000
2 0 0 1 1
0.5472524153 1.0000000000
3 0 0 1 1
1.2702086517 1.0000000000
4 0 0 1 1
6.3055407364 1.0000000000
5 0 0 1 1
23.2608212559 1.0000000000
6 0 0 1 1
83.1798562644 1.0000000000
7 0 0 1 1
295.4461943475 1.0000000000
8 1 1 1 1
0.4390017339 1.0000000000
9 1 1 1 1
0.6126873028 1.0000000000
10 1 1 1 1
2.9128857884 1.0000000000
11 1 1 1 1
9.1687181817 1.0000000000
12 1 1 1 1
27.1930276327 1.0000000000
13 1 1 1 1
82.0967480722 1.0000000000
14 2 2 1 1
0.4713902313 1.0000000000
15 2 2 1 1
0.5775175693 1.0000000000
16 2 2 1 1
4.4330595639 1.0000000000
17 2 2 1 1
24.6236275721 1.0000000000
18 3 3 1 1
0.6860747132 1.0000000000
19 3 3 1 1
1.4022379761 1.0000000000
20 4 4 1 1
0.5343303195 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.2e-04
P RI_aug-DZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.2e-04
21
1 0 0 1 1
0.2045841841 1.0000000000
2 0 0 1 1
0.3607074005 1.0000000000
3 0 0 1 1
1.2496291842 1.0000000000
4 0 0 1 1
5.0605571846 1.0000000000
5 0 0 1 1
21.3288206662 1.0000000000
6 0 0 1 1
81.3220945954 1.0000000000
7 0 0 1 1
298.7966763406 1.0000000000
8 1 1 1 1
0.2807689202 1.0000000000
9 1 1 1 1
0.4306877397 1.0000000000
10 1 1 1 1
1.2384627039 1.0000000000
11 1 1 1 1
5.7901285130 1.0000000000
12 1 1 1 1
23.0480858949 1.0000000000
13 1 1 1 1
80.4557418551 1.0000000000
14 2 2 1 1
0.2367858329 1.0000000000
15 2 2 1 1
0.5870215294 1.0000000000
16 2 2 1 1
1.7967891250 1.0000000000
17 2 2 1 1
18.0105296761 1.0000000000
18 3 3 1 1
0.3118925812 1.0000000000
19 3 3 1 1
0.8590097519 1.0000000000
20 3 3 1 1
4.9943100858 1.0000000000
21 4 4 1 1
0.6369322866 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 5.3e-05
P RI_aug-DZVP-MOLOPT-ae_N_RI_095_s_p_d_f_g_h_i_7_6_4_3_2_1_0_error_5.3e-05
23
1 0 0 1 1
0.2713398591 1.0000000000
2 0 0 1 1
0.3362011366 1.0000000000
3 0 0 1 1
1.2426321264 1.0000000000
4 0 0 1 1
5.2994240979 1.0000000000
5 0 0 1 1
21.7109324551 1.0000000000
6 0 0 1 1
81.7189649755 1.0000000000
7 0 0 1 1
299.2130197582 1.0000000000
8 1 1 1 1
0.3183959762 1.0000000000
9 1 1 1 1
0.5419932500 1.0000000000
10 1 1 1 1
1.3485324863 1.0000000000
11 1 1 1 1
5.7391268760 1.0000000000
12 1 1 1 1
22.6972977247 1.0000000000
13 1 1 1 1
81.8804154698 1.0000000000
14 2 2 1 1
0.3143426826 1.0000000000
15 2 2 1 1
0.7411445883 1.0000000000
16 2 2 1 1
4.4447548765 1.0000000000
17 2 2 1 1
24.6186440571 1.0000000000
18 3 3 1 1
0.4174138969 1.0000000000
19 3 3 1 1
0.8680622566 1.0000000000
20 3 3 1 1
4.7839181596 1.0000000000
21 4 4 1 1
0.4478030052 1.0000000000
22 4 4 1 1
1.4387705264 1.0000000000
23 5 5 1 1
1.0634773833 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 2.4e-05
P RI_aug-DZVP-MOLOPT-ae_N_RI_105_s_p_d_f_g_h_i_7_6_6_3_2_1_0_error_2.4e-05
25
1 0 0 1 1
0.2240734895 1.0000000000
2 0 0 1 1
0.3417346478 1.0000000000
3 0 0 1 1
0.9983353719 1.0000000000
4 0 0 1 1
3.8197603752 1.0000000000
5 0 0 1 1
18.9185207440 1.0000000000
6 0 0 1 1
78.5400726494 1.0000000000
7 0 0 1 1
288.5616095378 1.0000000000
8 1 1 1 1
0.2932232786 1.0000000000
9 1 1 1 1
0.6724744461 1.0000000000
10 1 1 1 1
2.7069957050 1.0000000000
11 1 1 1 1
8.6010203193 1.0000000000
12 1 1 1 1
25.1355642925 1.0000000000
13 1 1 1 1
72.4287215340 1.0000000000
14 2 2 1 1
0.2999984979 1.0000000000
15 2 2 1 1
0.5584581345 1.0000000000
16 2 2 1 1
1.4738684921 1.0000000000
17 2 2 1 1
4.0019090776 1.0000000000
18 2 2 1 1
10.0312331167 1.0000000000
19 2 2 1 1
24.6091721752 1.0000000000
20 3 3 1 1
0.2784184036 1.0000000000
21 3 3 1 1
0.7364388245 1.0000000000
22 3 3 1 1
2.4068123809 1.0000000000
23 4 4 1 1
0.4577659823 1.0000000000
24 4 4 1 1
1.0837024305 1.0000000000
25 5 5 1 1
0.1921287791 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 2.0e-02
P RI_aug-TZVP-MOLOPT-ae_N_RI_034_s_p_d_f_g_h_i_5_4_2_1_0_0_0_error_2.0e-02
12
1 0 0 1 1
0.2598650628 1.0000000000
2 0 0 1 1
0.6782697320 1.0000000000
3 0 0 1 1
4.8439243576 1.0000000000
4 0 0 1 1
41.2012633846 1.0000000000
5 0 0 1 1
297.7836280086 1.0000000000
6 1 1 1 1
0.2647900236 1.0000000000
7 1 1 1 1
0.4753481845 1.0000000000
8 1 1 1 1
2.8242299398 1.0000000000
9 1 1 1 1
39.6229818582 1.0000000000
10 2 2 1 1
0.5380295627 1.0000000000
11 2 2 1 1
1.4657155422 1.0000000000
12 3 3 1 1
0.8459724215 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 7.8e-03
P RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_4_4_1_1_0_0_error_7.8e-03
17
1 0 0 1 1
0.2670533635 1.0000000000
2 0 0 1 1
0.5214880505 1.0000000000
3 0 0 1 1
1.5808089782 1.0000000000
4 0 0 1 1
5.9046548409 1.0000000000
5 0 0 1 1
22.3867497296 1.0000000000
6 0 0 1 1
82.4262896442 1.0000000000
7 0 0 1 1
299.9653225287 1.0000000000
8 1 1 1 1
0.2600207516 1.0000000000
9 1 1 1 1
0.9252664964 1.0000000000
10 1 1 1 1
6.4277784675 1.0000000000
11 1 1 1 1
37.8961398399 1.0000000000
12 2 2 1 1
0.4716003478 1.0000000000
13 2 2 1 1
0.9235522093 1.0000000000
14 2 2 1 1
3.7537662470 1.0000000000
15 2 2 1 1
24.0042072060 1.0000000000
16 3 3 1 1
0.6971855550 1.0000000000
17 4 4 1 1
0.7964839133 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 3.7e-03
P RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_3.7e-03
19
1 0 0 1 1
0.2827429487 1.0000000000
2 0 0 1 1
0.5430582866 1.0000000000
3 0 0 1 1
1.3351722654 1.0000000000
4 0 0 1 1
5.2105073450 1.0000000000
5 0 0 1 1
21.4024463759 1.0000000000
6 0 0 1 1
81.3702644399 1.0000000000
7 0 0 1 1
298.8453598462 1.0000000000
8 1 1 1 1
0.3100044190 1.0000000000
9 1 1 1 1
0.4573387737 1.0000000000
10 1 1 1 1
1.4889004356 1.0000000000
11 1 1 1 1
5.2900178899 1.0000000000
12 1 1 1 1
21.4979377558 1.0000000000
13 1 1 1 1
80.7122890876 1.0000000000
14 2 2 1 1
0.4544214286 1.0000000000
15 2 2 1 1
1.0521660577 1.0000000000
16 2 2 1 1
4.0855934258 1.0000000000
17 2 2 1 1
14.6001978907 1.0000000000
18 3 3 1 1
0.6916691453 1.0000000000
19 4 4 1 1
0.5225410505 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 1.5e-03
P RI_aug-TZVP-MOLOPT-ae_N_RI_075_s_p_d_f_g_h_i_7_6_4_3_1_0_0_error_1.5e-03
21
1 0 0 1 1
0.2839389172 1.0000000000
2 0 0 1 1
0.5754192689 1.0000000000
3 0 0 1 1
1.3305535986 1.0000000000
4 0 0 1 1
4.9931140468 1.0000000000
5 0 0 1 1
20.8870866541 1.0000000000
6 0 0 1 1
80.8144928998 1.0000000000
7 0 0 1 1
298.2643600152 1.0000000000
8 1 1 1 1
0.3729048865 1.0000000000
9 1 1 1 1
0.5274378927 1.0000000000
10 1 1 1 1
1.6814181073 1.0000000000
11 1 1 1 1
6.6247653148 1.0000000000
12 1 1 1 1
23.2392700529 1.0000000000
13 1 1 1 1
75.1113874965 1.0000000000
14 2 2 1 1
0.3850336407 1.0000000000
15 2 2 1 1
0.8555628157 1.0000000000
16 2 2 1 1
2.5763840810 1.0000000000
17 2 2 1 1
8.0494517743 1.0000000000
18 3 3 1 1
0.6287451160 1.0000000000
19 3 3 1 1
0.9641593911 1.0000000000
20 3 3 1 1
4.3066450604 1.0000000000
21 4 4 1 1
0.7145775777 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 6.9e-04
P RI_aug-TZVP-MOLOPT-ae_N_RI_086_s_p_d_f_g_h_i_7_6_4_3_1_1_0_error_6.9e-04
22
1 0 0 1 1
0.2823726969 1.0000000000
2 0 0 1 1
0.5182483798 1.0000000000
3 0 0 1 1
1.2736836026 1.0000000000
4 0 0 1 1
4.9179278284 1.0000000000
5 0 0 1 1
20.7877672967 1.0000000000
6 0 0 1 1
80.7053122926 1.0000000000
7 0 0 1 1
298.1476102107 1.0000000000
8 1 1 1 1
0.3206395323 1.0000000000
9 1 1 1 1
0.6443270811 1.0000000000
10 1 1 1 1
1.3769178248 1.0000000000
11 1 1 1 1
4.9671890581 1.0000000000
12 1 1 1 1
20.7972274054 1.0000000000
13 1 1 1 1
80.0600532776 1.0000000000
14 2 2 1 1
0.3917133195 1.0000000000
15 2 2 1 1
0.7879215520 1.0000000000
16 2 2 1 1
2.5166765118 1.0000000000
17 2 2 1 1
9.0692756826 1.0000000000
18 3 3 1 1
0.4785837383 1.0000000000
19 3 3 1 1
0.8560155663 1.0000000000
20 3 3 1 1
3.3648477779 1.0000000000
21 4 4 1 1
0.6463871661 1.0000000000
22 5 5 1 1
0.7900005992 1.0000000000
# RI basis set for P (all-electron) relative DI metric: 3.3e-04
P RI_aug-TZVP-MOLOPT-ae_N_RI_111_s_p_d_f_g_h_i_7_6_4_4_3_1_0_error_3.3e-04
25
1 0 0 1 1
0.2940933105 1.0000000000
2 0 0 1 1
0.6891077327 1.0000000000
3 0 0 1 1
2.2258757634 1.0000000000
4 0 0 1 1
8.2784063698 1.0000000000
5 0 0 1 1
28.4765575526 1.0000000000
6 0 0 1 1
93.0843242341 1.0000000000
7 0 0 1 1
299.4055772662 1.0000000000
8 1 1 1 1
0.3916659249 1.0000000000
9 1 1 1 1
0.6199324998 1.0000000000
10 1 1 1 1
2.0405579260 1.0000000000
11 1 1 1 1
7.6097067319 1.0000000000
12 1 1 1 1
24.9298423220 1.0000000000
13 1 1 1 1
77.1074085948 1.0000000000
14 2 2 1 1
0.4368143967 1.0000000000
15 2 2 1 1
1.0533348969 1.0000000000
16 2 2 1 1
2.5101614373 1.0000000000
17 2 2 1 1
10.4918561970 1.0000000000
18 3 3 1 1
0.2934535509 1.0000000000
19 3 3 1 1
0.6223531171 1.0000000000
20 3 3 1 1
1.6013692899 1.0000000000
21 3 3 1 1
4.1306007499 1.0000000000
22 4 4 1 1
0.2305991012 1.0000000000
23 4 4 1 1
0.6068749792 1.0000000000
24 4 4 1 1
1.3361460073 1.0000000000
25 5 5 1 1
0.3576840752 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 3.1e-02
S RI_aug-SZV-MOLOPT-ae-mini_N_RI_013_s_p_d_f_g_h_i_4_3_0_0_0_0_0_error_3.1e-02
7
1 0 0 1 1
0.3917585998 1.0000000000
2 0 0 1 1
1.0414841652 1.0000000000
3 0 0 1 1
2.7687691639 1.0000000000
4 0 0 1 1
7.3607288363 1.0000000000
5 1 1 1 1
0.4109529966 1.0000000000
6 1 1 1 1
0.7522178552 1.0000000000
7 1 1 1 1
2.1455282027 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 4.3e-03
S RI_aug-SZV-MOLOPT-ae-mini_N_RI_018_s_p_d_f_g_h_i_4_3_1_0_0_0_0_error_4.3e-03
8
1 0 0 1 1
0.4446608996 1.0000000000
2 0 0 1 1
0.7234808544 1.0000000000
3 0 0 1 1
1.2112135158 1.0000000000
4 0 0 1 1
2.0984873770 1.0000000000
5 1 1 1 1
0.3594012410 1.0000000000
6 1 1 1 1
0.8166996637 1.0000000000
7 1 1 1 1
2.8410978191 1.0000000000
8 2 2 1 1
1.8558999609 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 3.2e-06
S RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_3.2e-06
10
1 0 0 1 1
0.2239052376 1.0000000000
2 0 0 1 1
0.4589446100 1.0000000000
3 0 0 1 1
0.9203474234 1.0000000000
4 0 0 1 1
1.7672851701 1.0000000000
5 0 0 1 1
3.3751787111 1.0000000000
6 1 1 1 1
0.3961473500 1.0000000000
7 1 1 1 1
0.9697219465 1.0000000000
8 1 1 1 1
1.9533554439 1.0000000000
9 2 2 1 1
0.2430103510 1.0000000000
10 2 2 1 1
0.9718065294 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.6e-06
S RI_aug-SZV-MOLOPT-ae-mini_N_RI_031_s_p_d_f_g_h_i_7_3_3_0_0_0_0_error_1.6e-06
13
1 0 0 1 1
0.2483652725 1.0000000000
2 0 0 1 1
0.3849180524 1.0000000000
3 0 0 1 1
0.5947003460 1.0000000000
4 0 0 1 1
0.9180989442 1.0000000000
5 0 0 1 1
1.4184616314 1.0000000000
6 0 0 1 1
2.1912041719 1.0000000000
7 0 0 1 1
3.3825850011 1.0000000000
8 1 1 1 1
0.4455959843 1.0000000000
9 1 1 1 1
0.7608778638 1.0000000000
10 1 1 1 1
2.7005672217 1.0000000000
11 2 2 1 1
0.2323356313 1.0000000000
12 2 2 1 1
0.9538986362 1.0000000000
13 2 2 1 1
3.3587056559 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.5e-07
S RI_aug-SZV-MOLOPT-ae-mini_N_RI_037_s_p_d_f_g_h_i_7_5_3_0_0_0_0_error_1.5e-07
15
1 0 0 1 1
0.2499999999 1.0000000000
2 0 0 1 1
0.3859035085 1.0000000000
3 0 0 1 1
0.5956860715 1.0000000000
4 0 0 1 1
0.9195093800 1.0000000000
5 0 0 1 1
1.4193675835 1.0000000000
6 0 0 1 1
2.1909557215 1.0000000000
7 0 0 1 1
3.3819900000 1.0000000000
8 1 1 1 1
0.2500000000 1.0000000000
9 1 1 1 1
0.4794552586 1.0000000000
10 1 1 1 1
0.9195093800 1.0000000000
11 1 1 1 1
1.7634544304 1.0000000000
12 1 1 1 1
3.3819900000 1.0000000000
13 2 2 1 1
0.2499999913 1.0000000000
14 2 2 1 1
0.9195093664 1.0000000000
15 2 2 1 1
3.3819900000 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 5.1e-08
S RI_aug-SZV-MOLOPT-ae-mini_N_RI_042_s_p_d_f_g_h_i_7_5_4_0_0_0_0_error_5.1e-08
16
1 0 0 1 1
0.2499999999 1.0000000000
2 0 0 1 1
0.3859035085 1.0000000000
3 0 0 1 1
0.5956860715 1.0000000000
4 0 0 1 1
0.9195093800 1.0000000000
5 0 0 1 1
1.4193675835 1.0000000000
6 0 0 1 1
2.1909557215 1.0000000000
7 0 0 1 1
3.3819899999 1.0000000000
8 1 1 1 1
0.2500000000 1.0000000000
9 1 1 1 1
0.4794552586 1.0000000000
10 1 1 1 1
0.9195093800 1.0000000000
11 1 1 1 1
1.7634544304 1.0000000000
12 1 1 1 1
3.3819900000 1.0000000000
13 2 2 1 1
0.2499999998 1.0000000000
14 2 2 1 1
0.5956860718 1.0000000000
15 2 2 1 1
1.4193675828 1.0000000000
16 2 2 1 1
3.3819899997 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.5e-02
S RI_aug-SZV-MOLOPT-ae_N_RI_021_s_p_d_f_g_h_i_6_1_1_1_0_0_0_error_1.5e-02
9
1 0 0 1 1
0.2502961293 1.0000000000
2 0 0 1 1
0.8294520829 1.0000000000
3 0 0 1 1
4.3967791552 1.0000000000
4 0 0 1 1
21.5942027240 1.0000000000
5 0 0 1 1
89.0567750777 1.0000000000
6 0 0 1 1
349.8069835052 1.0000000000
7 1 1 1 1
0.5547921887 1.0000000000
8 2 2 1 1
0.7535914967 1.0000000000
9 3 3 1 1
0.4410414853 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 2.6e-03
S RI_aug-SZV-MOLOPT-ae_N_RI_031_s_p_d_f_g_h_i_7_4_1_1_0_0_0_error_2.6e-03
13
1 0 0 1 1
0.3184052430 1.0000000000
2 0 0 1 1
0.6227890368 1.0000000000
3 0 0 1 1
2.0507484034 1.0000000000
4 0 0 1 1
7.4322997590 1.0000000000
5 0 0 1 1
26.9864329998 1.0000000000
6 0 0 1 1
97.7234521039 1.0000000000
7 0 0 1 1
353.6745443749 1.0000000000
8 1 1 1 1
0.2552186435 1.0000000000
9 1 1 1 1
0.8097592942 1.0000000000
10 1 1 1 1
10.8828523927 1.0000000000
11 1 1 1 1
92.1212069644 1.0000000000
12 2 2 1 1
0.6025217860 1.0000000000
13 3 3 1 1
0.7022586239 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 8.0e-04
S RI_aug-SZV-MOLOPT-ae_N_RI_041_s_p_d_f_g_h_i_7_4_3_1_0_0_0_error_8.0e-04
15
1 0 0 1 1
0.2827137142 1.0000000000
2 0 0 1 1
0.5249871744 1.0000000000
3 0 0 1 1
1.9858035689 1.0000000000
4 0 0 1 1
7.4141807883 1.0000000000
5 0 0 1 1
26.9650379678 1.0000000000
6 0 0 1 1
97.7005835647 1.0000000000
7 0 0 1 1
353.6502553840 1.0000000000
8 1 1 1 1
0.3260435784 1.0000000000
9 1 1 1 1
0.5242741843 1.0000000000
10 1 1 1 1
9.3458727712 1.0000000000
11 1 1 1 1
84.4291955793 1.0000000000
12 2 2 1 1
0.4962844892 1.0000000000
13 2 2 1 1
1.8772207334 1.0000000000
14 2 2 1 1
23.5845458051 1.0000000000
15 3 3 1 1
0.6832682757 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.9e-04
S RI_aug-SZV-MOLOPT-ae_N_RI_072_s_p_d_f_g_h_i_7_6_3_2_2_0_0_error_1.9e-04
20
1 0 0 1 1
0.3416781572 1.0000000000
2 0 0 1 1
1.0505565040 1.0000000000
3 0 0 1 1
3.3986434923 1.0000000000
4 0 0 1 1
10.9290937876 1.0000000000
5 0 0 1 1
34.8794487702 1.0000000000
6 0 0 1 1
111.0919432647 1.0000000000
7 0 0 1 1
353.6420598725 1.0000000000
8 1 1 1 1
0.2943149269 1.0000000000
9 1 1 1 1
0.6887347875 1.0000000000
10 1 1 1 1
2.6900825634 1.0000000000
11 1 1 1 1
9.1025474373 1.0000000000
12 1 1 1 1
30.3383645624 1.0000000000
13 1 1 1 1
100.6331721843 1.0000000000
14 2 2 1 1
0.6369979122 1.0000000000
15 2 2 1 1
1.7195276810 1.0000000000
16 2 2 1 1
29.2342584121 1.0000000000
17 3 3 1 1
0.6446630421 1.0000000000
18 3 3 1 1
4.0797892747 1.0000000000
19 4 4 1 1
0.2759523441 1.0000000000
20 4 4 1 1
1.4474892985 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.2e-02
S RI_aug-DZVP-MOLOPT-ae_N_RI_039_s_p_d_f_g_h_i_5_4_3_1_0_0_0_error_1.2e-02
13
1 0 0 1 1
0.2640581978 1.0000000000
2 0 0 1 1
0.7173465764 1.0000000000
3 0 0 1 1
5.5123278063 1.0000000000
4 0 0 1 1
48.3194153216 1.0000000000
5 0 0 1 1
350.1511357028 1.0000000000
6 1 1 1 1
0.3510461524 1.0000000000
7 1 1 1 1
0.5972893439 1.0000000000
8 1 1 1 1
9.6239831403 1.0000000000
9 1 1 1 1
97.1901975049 1.0000000000
10 2 2 1 1
0.7196272264 1.0000000000
11 2 2 1 1
4.5552803058 1.0000000000
12 2 2 1 1
28.4581367599 1.0000000000
13 3 3 1 1
0.8570773350 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 5.2e-03
S RI_aug-DZVP-MOLOPT-ae_N_RI_048_s_p_d_f_g_h_i_7_4_3_2_0_0_0_error_5.2e-03
16
1 0 0 1 1
0.3020012495 1.0000000000
2 0 0 1 1
0.6111320981 1.0000000000
3 0 0 1 1
1.9736797107 1.0000000000
4 0 0 1 1
7.2451176709 1.0000000000
5 0 0 1 1
26.7479903083 1.0000000000
6 0 0 1 1
97.4674569940 1.0000000000
7 0 0 1 1
353.4008327994 1.0000000000
8 1 1 1 1
0.3283740756 1.0000000000
9 1 1 1 1
0.5668002359 1.0000000000
10 1 1 1 1
3.9767152195 1.0000000000
11 1 1 1 1
77.2346736413 1.0000000000
12 2 2 1 1
0.4988625787 1.0000000000
13 2 2 1 1
0.7647992711 1.0000000000
14 2 2 1 1
8.9845227182 1.0000000000
15 3 3 1 1
0.2693390233 1.0000000000
16 3 3 1 1
0.8676881869 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 2.1e-03
S RI_aug-DZVP-MOLOPT-ae_N_RI_065_s_p_d_f_g_h_i_7_5_4_2_1_0_0_error_2.1e-03
19
1 0 0 1 1
0.2283137225 1.0000000000
2 0 0 1 1
0.6255889741 1.0000000000
3 0 0 1 1
2.1864182647 1.0000000000
4 0 0 1 1
8.7702241282 1.0000000000
5 0 0 1 1
32.4225304721 1.0000000000
6 0 0 1 1
108.3250475088 1.0000000000
7 0 0 1 1
349.6795017942 1.0000000000
8 1 1 1 1
0.3492099367 1.0000000000
9 1 1 1 1
1.3867673523 1.0000000000
10 1 1 1 1
5.5088948564 1.0000000000
11 1 1 1 1
21.8814356746 1.0000000000
12 1 1 1 1
86.9104068621 1.0000000000
13 2 2 1 1
0.3890590862 1.0000000000
14 2 2 1 1
0.8534851999 1.0000000000
15 2 2 1 1
4.6792369028 1.0000000000
16 2 2 1 1
25.9492411385 1.0000000000
17 3 3 1 1
0.4244930847 1.0000000000
18 3 3 1 1
1.2985823690 1.0000000000
19 4 4 1 1
0.7646178679 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.8e-04
S RI_aug-DZVP-MOLOPT-ae_N_RI_070_s_p_d_f_g_h_i_7_5_5_2_1_0_0_error_1.8e-04
20
1 0 0 1 1
0.2901700939 1.0000000000
2 0 0 1 1
0.4752257357 1.0000000000
3 0 0 1 1
1.5884381939 1.0000000000
4 0 0 1 1
6.4907592281 1.0000000000
5 0 0 1 1
25.8526023777 1.0000000000
6 0 0 1 1
96.5079814877 1.0000000000
7 0 0 1 1
352.3772137793 1.0000000000
8 1 1 1 1
0.3146301567 1.0000000000
9 1 1 1 1
0.6575037643 1.0000000000
10 1 1 1 1
3.0827576458 1.0000000000
11 1 1 1 1
17.0845598869 1.0000000000
12 1 1 1 1
97.3693932404 1.0000000000
13 2 2 1 1
0.3847443439 1.0000000000
14 2 2 1 1
0.7374942444 1.0000000000
15 2 2 1 1
2.3925473350 1.0000000000
16 2 2 1 1
8.8547057817 1.0000000000
17 2 2 1 1
31.8457574816 1.0000000000
18 3 3 1 1
0.4108575481 1.0000000000
19 3 3 1 1
1.0692078390 1.0000000000
20 4 4 1 1
0.5614499318 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 8.5e-05
S RI_aug-DZVP-MOLOPT-ae_N_RI_073_s_p_d_f_g_h_i_7_6_5_2_1_0_0_error_8.5e-05
21
1 0 0 1 1
0.2903921013 1.0000000000
2 0 0 1 1
0.4634786360 1.0000000000
3 0 0 1 1
1.5391648984 1.0000000000
4 0 0 1 1
6.2832808374 1.0000000000
5 0 0 1 1
25.5782923426 1.0000000000
6 0 0 1 1
96.2180926702 1.0000000000
7 0 0 1 1
352.0707936979 1.0000000000
8 1 1 1 1
0.3171056269 1.0000000000
9 1 1 1 1
0.5616827344 1.0000000000
10 1 1 1 1
1.8595799025 1.0000000000
11 1 1 1 1
7.4839051904 1.0000000000
12 1 1 1 1
28.5597942522 1.0000000000
13 1 1 1 1
100.9878228978 1.0000000000
14 2 2 1 1
0.4099180911 1.0000000000
15 2 2 1 1
0.7126948360 1.0000000000
16 2 2 1 1
2.3810439763 1.0000000000
17 2 2 1 1
8.8407579838 1.0000000000
18 2 2 1 1
31.8340184805 1.0000000000
19 3 3 1 1
0.3615010288 1.0000000000
20 3 3 1 1
0.9509529515 1.0000000000
21 4 4 1 1
0.5497230114 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 3.0e-05
S RI_aug-DZVP-MOLOPT-ae_N_RI_098_s_p_d_f_g_h_i_7_6_5_3_3_0_0_error_3.0e-05
24
1 0 0 1 1
0.3346844148 1.0000000000
2 0 0 1 1
0.5381981321 1.0000000000
3 0 0 1 1
1.8545458393 1.0000000000
4 0 0 1 1
7.0482315264 1.0000000000
5 0 0 1 1
26.4919693543 1.0000000000
6 0 0 1 1
97.1799091720 1.0000000000
7 0 0 1 1
353.0917014359 1.0000000000
8 1 1 1 1
0.2621175202 1.0000000000
9 1 1 1 1
0.6284073108 1.0000000000
10 1 1 1 1
1.7285377280 1.0000000000
11 1 1 1 1
6.8209392732 1.0000000000
12 1 1 1 1
27.8366880419 1.0000000000
13 1 1 1 1
100.3434885260 1.0000000000
14 2 2 1 1
0.3929766104 1.0000000000
15 2 2 1 1
0.6760840257 1.0000000000
16 2 2 1 1
2.3809663304 1.0000000000
17 2 2 1 1
8.8493011289 1.0000000000
18 2 2 1 1
31.8481833122 1.0000000000
19 3 3 1 1
0.3555966732 1.0000000000
20 3 3 1 1
0.9371212043 1.0000000000
21 3 3 1 1
5.4777727495 1.0000000000
22 4 4 1 1
0.2934469255 1.0000000000
23 4 4 1 1
0.6961915044 1.0000000000
24 4 4 1 1
1.7365900772 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.3e-05
S RI_aug-DZVP-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_5_5_3_0_0_error_1.3e-05
26
1 0 0 1 1
0.2747308493 1.0000000000
2 0 0 1 1
0.4501924376 1.0000000000
3 0 0 1 1
1.5766362952 1.0000000000
4 0 0 1 1
6.1210136425 1.0000000000
5 0 0 1 1
24.9780892087 1.0000000000
6 0 0 1 1
95.4781304763 1.0000000000
7 0 0 1 1
351.2620329951 1.0000000000
8 1 1 1 1
0.2974099958 1.0000000000
9 1 1 1 1
0.5566607944 1.0000000000
10 1 1 1 1
1.6611037448 1.0000000000
11 1 1 1 1
6.3680763125 1.0000000000
12 1 1 1 1
21.7584926669 1.0000000000
13 1 1 1 1
70.3580587160 1.0000000000
14 2 2 1 1
0.3420117384 1.0000000000
15 2 2 1 1
0.8689039626 1.0000000000
16 2 2 1 1
1.7905251475 1.0000000000
17 2 2 1 1
8.0866464375 1.0000000000
18 2 2 1 1
31.3431623861 1.0000000000
19 3 3 1 1
0.1962228454 1.0000000000
20 3 3 1 1
0.4752074227 1.0000000000
21 3 3 1 1
1.1105638184 1.0000000000
22 3 3 1 1
2.4814503856 1.0000000000
23 3 3 1 1
5.8594677161 1.0000000000
24 4 4 1 1
0.3914745320 1.0000000000
25 4 4 1 1
0.7987067810 1.0000000000
26 4 4 1 1
1.6995491395 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 3.4e-02
S RI_aug-TZVP-MOLOPT-ae_N_RI_040_s_p_d_f_g_h_i_6_4_3_1_0_0_0_error_3.4e-02
14
1 0 0 1 1
0.1727895936 1.0000000000
2 0 0 1 1
0.6828360568 1.0000000000
3 0 0 1 1
3.0607476237 1.0000000000
4 0 0 1 1
15.6065346900 1.0000000000
5 0 0 1 1
74.9916619788 1.0000000000
6 0 0 1 1
353.0552394372 1.0000000000
7 1 1 1 1
0.2568381153 1.0000000000
8 1 1 1 1
0.6392553882 1.0000000000
9 1 1 1 1
8.1127022036 1.0000000000
10 1 1 1 1
73.7920476487 1.0000000000
11 2 2 1 1
0.8480897610 1.0000000000
12 2 2 1 1
3.9671906305 1.0000000000
13 2 2 1 1
16.4650407781 1.0000000000
14 3 3 1 1
1.0878420221 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.5e-02
S RI_aug-TZVP-MOLOPT-ae_N_RI_055_s_p_d_f_g_h_i_7_4_4_1_1_0_0_error_1.5e-02
17
1 0 0 1 1
0.2950364312 1.0000000000
2 0 0 1 1
0.5733224975 1.0000000000
3 0 0 1 1
1.7581699749 1.0000000000
4 0 0 1 1
6.8206937911 1.0000000000
5 0 0 1 1
26.2336784133 1.0000000000
6 0 0 1 1
96.8977188814 1.0000000000
7 0 0 1 1
352.7881659991 1.0000000000
8 1 1 1 1
0.4648099241 1.0000000000
9 1 1 1 1
1.7519773325 1.0000000000
10 1 1 1 1
8.8547151398 1.0000000000
11 1 1 1 1
40.9977024441 1.0000000000
12 2 2 1 1
0.5846590502 1.0000000000
13 2 2 1 1
1.2891719515 1.0000000000
14 2 2 1 1
6.6298970141 1.0000000000
15 2 2 1 1
30.4247329077 1.0000000000
16 3 3 1 1
0.6216081803 1.0000000000
17 4 4 1 1
0.9879880714 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 7.0e-03
S RI_aug-TZVP-MOLOPT-ae_N_RI_061_s_p_d_f_g_h_i_7_6_4_1_1_0_0_error_7.0e-03
19
1 0 0 1 1
0.3193433489 1.0000000000
2 0 0 1 1
0.4956876232 1.0000000000
3 0 0 1 1
1.4878494921 1.0000000000
4 0 0 1 1
5.9361831390 1.0000000000
5 0 0 1 1
24.8269313311 1.0000000000
6 0 0 1 1
95.3440464099 1.0000000000
7 0 0 1 1
351.1329302506 1.0000000000
8 1 1 1 1
0.4087707076 1.0000000000
9 1 1 1 1
0.5088848973 1.0000000000
10 1 1 1 1
1.8187438010 1.0000000000
11 1 1 1 1
6.8060545856 1.0000000000
12 1 1 1 1
27.2842753864 1.0000000000
13 1 1 1 1
99.7858245095 1.0000000000
14 2 2 1 1
0.5435237587 1.0000000000
15 2 2 1 1
1.3094498200 1.0000000000
16 2 2 1 1
5.7234923533 1.0000000000
17 2 2 1 1
22.4329184009 1.0000000000
18 3 3 1 1
0.8064003431 1.0000000000
19 4 4 1 1
0.7404516823 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 3.4e-03
S RI_aug-TZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_3.4e-03
20
1 0 0 1 1
0.3201316182 1.0000000000
2 0 0 1 1
0.5185853180 1.0000000000
3 0 0 1 1
1.5116275581 1.0000000000
4 0 0 1 1
5.8847630152 1.0000000000
5 0 0 1 1
24.6615248256 1.0000000000
6 0 0 1 1
95.1605748317 1.0000000000
7 0 0 1 1
350.9420154965 1.0000000000
8 1 1 1 1
0.3929266753 1.0000000000
9 1 1 1 1
0.6116877583 1.0000000000
10 1 1 1 1
1.7860536661 1.0000000000
11 1 1 1 1
6.4150645017 1.0000000000
12 1 1 1 1
26.3147395459 1.0000000000
13 1 1 1 1
98.8708032004 1.0000000000
14 2 2 1 1
0.3835305532 1.0000000000
15 2 2 1 1
1.1158416531 1.0000000000
16 2 2 1 1
4.2473840098 1.0000000000
17 2 2 1 1
14.7159176277 1.0000000000
18 3 3 1 1
0.5745635687 1.0000000000
19 3 3 1 1
1.0689484485 1.0000000000
20 4 4 1 1
0.9288692530 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 1.7e-03
S RI_aug-TZVP-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_1.7e-03
21
1 0 0 1 1
0.3112139767 1.0000000000
2 0 0 1 1
0.5158932785 1.0000000000
3 0 0 1 1
1.5592776225 1.0000000000
4 0 0 1 1
6.1529848242 1.0000000000
5 0 0 1 1
25.2309692181 1.0000000000
6 0 0 1 1
95.8044546187 1.0000000000
7 0 0 1 1
351.6262770198 1.0000000000
8 1 1 1 1
0.3815041799 1.0000000000
9 1 1 1 1
0.6045297671 1.0000000000
10 1 1 1 1
1.8321090509 1.0000000000
11 1 1 1 1
6.8473449096 1.0000000000
12 1 1 1 1
27.4753415717 1.0000000000
13 1 1 1 1
99.9822840263 1.0000000000
14 2 2 1 1
0.5628011532 1.0000000000
15 2 2 1 1
0.7720564870 1.0000000000
16 2 2 1 1
3.1506457122 1.0000000000
17 2 2 1 1
18.0514430915 1.0000000000
18 3 3 1 1
0.4450769100 1.0000000000
19 3 3 1 1
1.1109376341 1.0000000000
20 4 4 1 1
0.9347185779 1.0000000000
21 5 5 1 1
1.3667021350 1.0000000000
# RI basis set for S (all-electron) relative DI metric: 4.9e-04
S RI_aug-TZVP-MOLOPT-ae_N_RI_107_s_p_d_f_g_h_i_7_6_5_4_2_1_0_error_4.9e-04
25
1 0 0 1 1
0.2572111090 1.0000000000
2 0 0 1 1
0.4304379135 1.0000000000
3 0 0 1 1
1.5884307013 1.0000000000
4 0 0 1 1
6.1857145714 1.0000000000
5 0 0 1 1
25.0970959122 1.0000000000
6 0 0 1 1
95.6176647735 1.0000000000
7 0 0 1 1
351.4221327033 1.0000000000
8 1 1 1 1
0.3303637640 1.0000000000
9 1 1 1 1
0.5726771550 1.0000000000
10 1 1 1 1
1.7355331333 1.0000000000
11 1 1 1 1
6.1418594219 1.0000000000
12 1 1 1 1
24.7686789465 1.0000000000
13 1 1 1 1
97.1501992861 1.0000000000
14 2 2 1 1
0.3965241856 1.0000000000
15 2 2 1 1
0.6060124557 1.0000000000
16 2 2 1 1
1.8846751425 1.0000000000
17 2 2 1 1
6.3749587464 1.0000000000
18 2 2 1 1
20.1306827476 1.0000000000
19 3 3 1 1
0.3240904223 1.0000000000
20 3 3 1 1
0.7067032417 1.0000000000
21 3 3 1 1
1.8022436973 1.0000000000
22 3 3 1 1
4.6286672632 1.0000000000
23 4 4 1 1
0.8104079161 1.0000000000
24 4 4 1 1
1.6309399089 1.0000000000
25 5 5 1 1
0.9858921275 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 2.9e-02
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_011_s_p_d_f_g_h_i_3_1_1_0_0_0_0_error_2.9e-02
5
1 0 0 1 1
0.2753200298 1.0000000000
2 0 0 1 1
0.4929012904 1.0000000000
3 0 0 1 1
0.8849019267 1.0000000000
4 1 1 1 1
2.3246274012 1.0000000000
5 2 2 1 1
1.7800077813 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 4.1e-03
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_014_s_p_d_f_g_h_i_3_2_1_0_0_0_0_error_4.1e-03
6
1 0 0 1 1
0.3346343565 1.0000000000
2 0 0 1 1
0.7463421181 1.0000000000
3 0 0 1 1
1.6347955261 1.0000000000
4 1 1 1 1
0.4967832479 1.0000000000
5 1 1 1 1
0.8509423063 1.0000000000
6 2 2 1 1
1.8137182743 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 3.1e-04
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_019_s_p_d_f_g_h_i_3_2_2_0_0_0_0_error_3.1e-04
7
1 0 0 1 1
0.2653531384 1.0000000000
2 0 0 1 1
0.6314021229 1.0000000000
3 0 0 1 1
1.0939054908 1.0000000000
4 1 1 1 1
0.3715518348 1.0000000000
5 1 1 1 1
1.1759537978 1.0000000000
6 2 2 1 1
0.2075466466 1.0000000000
7 2 2 1 1
1.0993237991 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 7.8e-05
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_021_s_p_d_f_g_h_i_5_2_2_0_0_0_0_error_7.8e-05
9
1 0 0 1 1
0.1938497056 1.0000000000
2 0 0 1 1
0.4214534460 1.0000000000
3 0 0 1 1
0.8717593146 1.0000000000
4 0 0 1 1
1.7373929847 1.0000000000
5 0 0 1 1
3.5311544267 1.0000000000
6 1 1 1 1
0.6120433429 1.0000000000
7 1 1 1 1
0.7746948978 1.0000000000
8 2 2 1 1
0.2042879670 1.0000000000
9 2 2 1 1
1.1337598088 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 1.1e-05
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_024_s_p_d_f_g_h_i_5_3_2_0_0_0_0_error_1.1e-05
10
1 0 0 1 1
0.1908666034 1.0000000000
2 0 0 1 1
0.4133557109 1.0000000000
3 0 0 1 1
0.8619072538 1.0000000000
4 0 0 1 1
1.7380654938 1.0000000000
5 0 0 1 1
3.5416093342 1.0000000000
6 1 1 1 1
0.2177576092 1.0000000000
7 1 1 1 1
0.5783272425 1.0000000000
8 1 1 1 1
1.2488078757 1.0000000000
9 2 2 1 1
0.2386832122 1.0000000000
10 2 2 1 1
1.0189456200 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 2.1e-06
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_025_s_p_d_f_g_h_i_6_3_2_0_0_0_0_error_2.1e-06
11
1 0 0 1 1
0.1949166613 1.0000000000
2 0 0 1 1
0.3572067352 1.0000000000
3 0 0 1 1
0.6305728647 1.0000000000
4 0 0 1 1
1.1056915220 1.0000000000
5 0 0 1 1
1.9818057901 1.0000000000
6 0 0 1 1
3.5520114789 1.0000000000
7 1 1 1 1
0.2924242644 1.0000000000
8 1 1 1 1
0.6341743475 1.0000000000
9 1 1 1 1
1.1787393037 1.0000000000
10 2 2 1 1
0.2509290439 1.0000000000
11 2 2 1 1
1.1367750250 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 9.5e-07
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_030_s_p_d_f_g_h_i_6_3_3_0_0_0_0_error_9.5e-07
12
1 0 0 1 1
0.2001963688 1.0000000000
2 0 0 1 1
0.3554372478 1.0000000000
3 0 0 1 1
0.6319470208 1.0000000000
4 0 0 1 1
1.1238923230 1.0000000000
5 0 0 1 1
1.9971619106 1.0000000000
6 0 0 1 1
3.5488989094 1.0000000000
7 1 1 1 1
0.3788936110 1.0000000000
8 1 1 1 1
0.9055623848 1.0000000000
9 1 1 1 1
1.7564414979 1.0000000000
10 2 2 1 1
0.2412583631 1.0000000000
11 2 2 1 1
1.0229473596 1.0000000000
12 2 2 1 1
3.3934830750 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 7.1e-08
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_046_s_p_d_f_g_h_i_6_5_5_0_0_0_0_error_7.1e-08
16
1 0 0 1 1
0.1999999998 1.0000000000
2 0 0 1 1
0.3555041094 1.0000000000
3 0 0 1 1
0.6319158592 1.0000000000
4 0 0 1 1
1.1232434237 1.0000000000
5 0 0 1 1
1.9965882653 1.0000000000
6 0 0 1 1
3.5489766664 1.0000000000
7 1 1 1 1
0.2000000000 1.0000000000
8 1 1 1 1
0.4104859368 1.0000000000
9 1 1 1 1
0.8424935212 1.0000000000
10 1 1 1 1
1.7291587110 1.0000000000
11 1 1 1 1
3.5489766666 1.0000000000
12 2 2 1 1
0.2000000000 1.0000000000
13 2 2 1 1
0.4104859367 1.0000000000
14 2 2 1 1
0.8424935212 1.0000000000
15 2 2 1 1
1.7291587113 1.0000000000
16 2 2 1 1
3.5489766667 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 1.4e-08
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_047_s_p_d_f_g_h_i_7_5_5_0_0_0_0_error_1.4e-08
17
1 0 0 1 1
0.2000000000 1.0000000000
2 0 0 1 1
0.3230047089 1.0000000000
3 0 0 1 1
0.5216602099 1.0000000000
4 0 0 1 1
0.8424935212 1.0000000000
5 0 0 1 1
1.3606468729 1.0000000000
6 0 0 1 1
2.1974767356 1.0000000000
7 0 0 1 1
3.5489766667 1.0000000000
8 1 1 1 1
0.2000000000 1.0000000000
9 1 1 1 1
0.4104859368 1.0000000000
10 1 1 1 1
0.8424935212 1.0000000000
11 1 1 1 1
1.7291587110 1.0000000000
12 1 1 1 1
3.5489766666 1.0000000000
13 2 2 1 1
0.2000000000 1.0000000000
14 2 2 1 1
0.4104859367 1.0000000000
15 2 2 1 1
0.8424935213 1.0000000000
16 2 2 1 1
1.7291587112 1.0000000000
17 2 2 1 1
3.5489766666 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 6.9e-09
Cl RI_aug-SZV-MOLOPT-ae-mini_N_RI_050_s_p_d_f_g_h_i_7_6_5_0_0_0_0_error_6.9e-09
18
1 0 0 1 1
0.2000000000 1.0000000000
2 0 0 1 1
0.3230047089 1.0000000000
3 0 0 1 1
0.5216602099 1.0000000000
4 0 0 1 1
0.8424935212 1.0000000000
5 0 0 1 1
1.3606468729 1.0000000000
6 0 0 1 1
2.1974767356 1.0000000000
7 0 0 1 1
3.5489766667 1.0000000000
8 1 1 1 1
0.2000000000 1.0000000000
9 1 1 1 1
0.3555041095 1.0000000000
10 1 1 1 1
0.6319158592 1.0000000000
11 1 1 1 1
1.1232434239 1.0000000000
12 1 1 1 1
1.9965882656 1.0000000000
13 1 1 1 1
3.5489766667 1.0000000000
14 2 2 1 1
0.2000000000 1.0000000000
15 2 2 1 1
0.4104859367 1.0000000000
16 2 2 1 1
0.8424935213 1.0000000000
17 2 2 1 1
1.7291587112 1.0000000000
18 2 2 1 1
3.5489766666 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 7.0e-03
Cl RI_aug-SZV-MOLOPT-ae_N_RI_027_s_p_d_f_g_h_i_6_3_1_1_0_0_0_error_7.0e-03
11
1 0 0 1 1
0.2448810414 1.0000000000
2 0 0 1 1
1.0689705418 1.0000000000
3 0 0 1 1
4.7614002889 1.0000000000
4 0 0 1 1
21.3798898754 1.0000000000
5 0 0 1 1
95.0610573491 1.0000000000
6 0 0 1 1
421.4539666580 1.0000000000
7 1 1 1 1
0.5326781235 1.0000000000
8 1 1 1 1
6.6253203880 1.0000000000
9 1 1 1 1
82.4813040231 1.0000000000
10 2 2 1 1
0.9298305952 1.0000000000
11 3 3 1 1
0.7501079429 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 1.3e-03
Cl RI_aug-SZV-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_5_1_1_1_0_0_error_1.3e-03
14
1 0 0 1 1
0.9722459299 1.0000000000
2 0 0 1 1
2.5847135575 1.0000000000
3 0 0 1 1
9.1897121065 1.0000000000
4 0 0 1 1
33.1834735350 1.0000000000
5 0 0 1 1
118.9618672292 1.0000000000
6 0 0 1 1
425.3304907559 1.0000000000
7 1 1 1 1
0.4794123927 1.0000000000
8 1 1 1 1
1.5588839623 1.0000000000
9 1 1 1 1
7.5715838698 1.0000000000
10 1 1 1 1
32.4184510010 1.0000000000
11 1 1 1 1
133.4378309350 1.0000000000
12 2 2 1 1
0.8972337822 1.0000000000
13 3 3 1 1
0.6843780723 1.0000000000
14 4 4 1 1
0.3298038429 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 3.4e-04
Cl RI_aug-SZV-MOLOPT-ae_N_RI_063_s_p_d_f_g_h_i_6_5_2_2_2_0_0_error_3.4e-04
17
1 0 0 1 1
0.3018898096 1.0000000000
2 0 0 1 1
0.9228413056 1.0000000000
3 0 0 1 1
4.1638344789 1.0000000000
4 0 0 1 1
19.2684781928 1.0000000000
5 0 0 1 1
90.3883791372 1.0000000000
6 0 0 1 1
425.1773114753 1.0000000000
7 1 1 1 1
0.2841143814 1.0000000000
8 1 1 1 1
0.9496935475 1.0000000000
9 1 1 1 1
6.3627453129 1.0000000000
10 1 1 1 1
31.3383429971 1.0000000000
11 1 1 1 1
132.4993560674 1.0000000000
12 2 2 1 1
0.8276392269 1.0000000000
13 2 2 1 1
37.3850122334 1.0000000000
14 3 3 1 1
0.8436249285 1.0000000000
15 3 3 1 1
4.8435054150 1.0000000000
16 4 4 1 1
0.2435315033 1.0000000000
17 4 4 1 1
2.3311468165 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 1.6e-04
Cl RI_aug-SZV-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_6_5_3_2_2_1_0_error_1.6e-04
19
1 0 0 1 1
0.3933878227 1.0000000000
2 0 0 1 1
0.9454117099 1.0000000000
3 0 0 1 1
4.1420015946 1.0000000000
4 0 0 1 1
19.2397433182 1.0000000000
5 0 0 1 1
90.3706523323 1.0000000000
6 0 0 1 1
425.1594269187 1.0000000000
7 1 1 1 1
0.3001587979 1.0000000000
8 1 1 1 1
0.5969784741 1.0000000000
9 1 1 1 1
5.4196543673 1.0000000000
10 1 1 1 1
27.2246847590 1.0000000000
11 1 1 1 1
134.8168376223 1.0000000000
12 2 2 1 1
0.7330253897 1.0000000000
13 2 2 1 1
2.3082928767 1.0000000000
14 2 2 1 1
38.7255190037 1.0000000000
15 3 3 1 1
0.8123288781 1.0000000000
16 3 3 1 1
4.5384937408 1.0000000000
17 4 4 1 1
0.2878171564 1.0000000000
18 4 4 1 1
1.8342334841 1.0000000000
19 5 5 1 1
1.2372489257 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 6.4e-05
Cl RI_aug-SZV-MOLOPT-ae_N_RI_108_s_p_d_f_g_h_i_6_5_3_3_3_1_1_error_6.4e-05
22
1 0 0 1 1
0.3440375331 1.0000000000
2 0 0 1 1
0.9015038618 1.0000000000
3 0 0 1 1
4.1407281194 1.0000000000
4 0 0 1 1
19.2483089875 1.0000000000
5 0 0 1 1
90.3699995645 1.0000000000
6 0 0 1 1
425.1582449022 1.0000000000
7 1 1 1 1
0.3836939269 1.0000000000
8 1 1 1 1
0.8683276566 1.0000000000
9 1 1 1 1
5.5114686366 1.0000000000
10 1 1 1 1
28.1208556839 1.0000000000
11 1 1 1 1
134.8575264426 1.0000000000
12 2 2 1 1
0.7053218898 1.0000000000
13 2 2 1 1
1.5977675319 1.0000000000
14 2 2 1 1
26.0899548387 1.0000000000
15 3 3 1 1
0.4931251285 1.0000000000
16 3 3 1 1
1.6851753289 1.0000000000
17 3 3 1 1
7.1710126576 1.0000000000
18 4 4 1 1
0.2697818932 1.0000000000
19 4 4 1 1
1.0380003963 1.0000000000
20 4 4 1 1
2.2129397202 1.0000000000
21 5 5 1 1
1.3084585494 1.0000000000
22 6 6 1 1
1.9290113032 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 2.8e-05
Cl RI_aug-SZV-MOLOPT-ae_N_RI_112_s_p_d_f_g_h_i_7_6_3_3_3_1_1_error_2.8e-05
24
1 0 0 1 1
0.3397027078 1.0000000000
2 0 0 1 1
0.7115714784 1.0000000000
3 0 0 1 1
2.4502250663 1.0000000000
4 0 0 1 1
8.8468086811 1.0000000000
5 0 0 1 1
32.1494707956 1.0000000000
6 0 0 1 1
116.8932415011 1.0000000000
7 0 0 1 1
425.0722262339 1.0000000000
8 1 1 1 1
0.3307645420 1.0000000000
9 1 1 1 1
0.7286616765 1.0000000000
10 1 1 1 1
3.1029990953 1.0000000000
11 1 1 1 1
11.0894461404 1.0000000000
12 1 1 1 1
38.7486520758 1.0000000000
13 1 1 1 1
135.0328217310 1.0000000000
14 2 2 1 1
0.5626605150 1.0000000000
15 2 2 1 1
1.1491133166 1.0000000000
16 2 2 1 1
26.8500403379 1.0000000000
17 3 3 1 1
0.6711085085 1.0000000000
18 3 3 1 1
1.6336588580 1.0000000000
19 3 3 1 1
7.1240162845 1.0000000000
20 4 4 1 1
0.2790152691 1.0000000000
21 4 4 1 1
1.0662082487 1.0000000000
22 4 4 1 1
2.2209820056 1.0000000000
23 5 5 1 1
1.6662243823 1.0000000000
24 6 6 1 1
1.9242475757 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 1.8e-02
Cl RI_aug-DZVP-MOLOPT-ae_N_RI_044_s_p_d_f_g_h_i_6_4_2_1_1_0_0_error_1.8e-02
14
1 0 0 1 1
0.3642851831 1.0000000000
2 0 0 1 1
0.9726988905 1.0000000000
3 0 0 1 1
4.2428295311 1.0000000000
4 0 0 1 1
19.2570802658 1.0000000000
5 0 0 1 1
90.3530029151 1.0000000000
6 0 0 1 1
425.1381241212 1.0000000000
7 1 1 1 1
0.3649604372 1.0000000000
8 1 1 1 1
1.2442122650 1.0000000000
9 1 1 1 1
7.3436354760 1.0000000000
10 1 1 1 1
111.4012070199 1.0000000000
11 2 2 1 1
2.5485958039 1.0000000000
12 2 2 1 1
13.1658769922 1.0000000000
13 3 3 1 1
1.7232506398 1.0000000000
14 4 4 1 1
0.6243390565 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 2.1e-03
Cl RI_aug-DZVP-MOLOPT-ae_N_RI_054_s_p_d_f_g_h_i_6_4_4_1_1_0_0_error_2.1e-03
16
1 0 0 1 1
0.2092710578 1.0000000000
2 0 0 1 1
0.7344600365 1.0000000000
3 0 0 1 1
3.7253897356 1.0000000000
4 0 0 1 1
18.7010688748 1.0000000000
5 0 0 1 1
89.7498469947 1.0000000000
6 0 0 1 1
424.4713851725 1.0000000000
7 1 1 1 1
0.2912067248 1.0000000000
8 1 1 1 1
0.6934373921 1.0000000000
9 1 1 1 1
5.3311523635 1.0000000000
10 1 1 1 1
150.0975079323 1.0000000000
11 2 2 1 1
0.3017316540 1.0000000000
12 2 2 1 1
1.0036950246 1.0000000000
13 2 2 1 1
4.8189708702 1.0000000000
14 2 2 1 1
27.1075112438 1.0000000000
15 3 3 1 1
1.0137994372 1.0000000000
16 4 4 1 1
1.3484642123 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 4.2e-04
Cl RI_aug-DZVP-MOLOPT-ae_N_RI_068_s_p_d_f_g_h_i_7_6_4_2_1_0_0_error_4.2e-04
20
1 0 0 1 1
0.2636819961 1.0000000000
2 0 0 1 1
0.7222242713 1.0000000000
3 0 0 1 1
2.6823303775 1.0000000000
4 0 0 1 1
11.0972130483 1.0000000000
5 0 0 1 1
39.5861520750 1.0000000000
6 0 0 1 1
130.8325838952 1.0000000000
7 0 0 1 1
422.6643268536 1.0000000000
8 1 1 1 1
0.4034013479 1.0000000000
9 1 1 1 1
0.6555135916 1.0000000000
10 1 1 1 1
3.1522713375 1.0000000000
11 1 1 1 1
11.3960707136 1.0000000000
12 1 1 1 1
39.3552950049 1.0000000000
13 1 1 1 1
133.7373899990 1.0000000000
14 2 2 1 1
0.3384505431 1.0000000000
15 2 2 1 1
1.0030341747 1.0000000000
16 2 2 1 1
6.6427120017 1.0000000000
17 2 2 1 1
33.0869370307 1.0000000000
18 3 3 1 1
0.4555405397 1.0000000000
19 3 3 1 1
1.5781969428 1.0000000000
20 4 4 1 1
1.2172980904 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 1.3e-04
Cl RI_aug-DZVP-MOLOPT-ae_N_RI_084_s_p_d_f_g_h_i_7_6_4_3_2_0_0_error_1.3e-04
22
1 0 0 1 1
0.2085751891 1.0000000000
2 0 0 1 1
0.6173661565 1.0000000000
3 0 0 1 1
2.4525439799 1.0000000000
4 0 0 1 1
8.8235336377 1.0000000000
5 0 0 1 1
32.0972369931 1.0000000000
6 0 0 1 1
116.8297895678 1.0000000000
7 0 0 1 1
425.0031961089 1.0000000000
8 1 1 1 1
0.2621478963 1.0000000000
9 1 1 1 1
0.8154575912 1.0000000000
10 1 1 1 1
3.1045648272 1.0000000000
11 1 1 1 1
11.0273543220 1.0000000000
12 1 1 1 1
38.6879838208 1.0000000000
13 1 1 1 1
134.9786666125 1.0000000000
14 2 2 1 1
0.3956705209 1.0000000000
15 2 2 1 1
0.8920066879 1.0000000000
16 2 2 1 1
6.2633699855 1.0000000000
17 2 2 1 1
38.7639221139 1.0000000000
18 3 3 1 1
0.3614895010 1.0000000000
19 3 3 1 1
1.1892784782 1.0000000000
20 3 3 1 1
6.9696118284 1.0000000000
21 4 4 1 1
0.6995802494 1.0000000000
22 4 4 1 1
1.6491856286 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 2.6e-05
Cl RI_aug-DZVP-MOLOPT-ae_N_RI_114_s_p_d_f_g_h_i_7_6_5_4_4_0_0_error_2.6e-05
26
1 0 0 1 1
0.3851988696 1.0000000000
2 0 0 1 1
0.7309682527 1.0000000000
3 0 0 1 1
2.6914752757 1.0000000000
4 0 0 1 1
11.0841175273 1.0000000000
5 0 0 1 1
39.4144157350 1.0000000000
6 0 0 1 1
130.5057502940 1.0000000000
7 0 0 1 1
422.4256934008 1.0000000000
8 1 1 1 1
0.2677626368 1.0000000000
9 1 1 1 1
0.7702719838 1.0000000000
10 1 1 1 1
3.0758033997 1.0000000000
11 1 1 1 1
10.5883473247 1.0000000000
12 1 1 1 1
38.2405482841 1.0000000000
13 1 1 1 1
134.5627967263 1.0000000000
14 2 2 1 1
0.4512514634 1.0000000000
15 2 2 1 1
0.7110871095 1.0000000000
16 2 2 1 1
2.6811094680 1.0000000000
17 2 2 1 1
10.3906581583 1.0000000000
18 2 2 1 1
39.0320723382 1.0000000000
19 3 3 1 1
0.3119070685 1.0000000000
20 3 3 1 1
0.8616333357 1.0000000000
21 3 3 1 1
2.2581745822 1.0000000000
22 3 3 1 1
6.2259228126 1.0000000000
23 4 4 1 1
0.2665538068 1.0000000000
24 4 4 1 1
0.5343879417 1.0000000000
25 4 4 1 1
1.0596130296 1.0000000000
26 4 4 1 1
2.1887627489 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 2.5e-02
Cl RI_aug-TZVP-MOLOPT-ae_N_RI_042_s_p_d_f_g_h_i_6_5_1_1_1_0_0_error_2.5e-02
14
1 0 0 1 1
0.4021851921 1.0000000000
2 0 0 1 1
0.6553436891 1.0000000000
3 0 0 1 1
2.8693634148 1.0000000000
4 0 0 1 1
16.0549038217 1.0000000000
5 0 0 1 1
86.4952260942 1.0000000000
6 0 0 1 1
420.9162539920 1.0000000000
7 1 1 1 1
0.5475770899 1.0000000000
8 1 1 1 1
0.9626865277 1.0000000000
9 1 1 1 1
5.2291441403 1.0000000000
10 1 1 1 1
26.5772063719 1.0000000000
11 1 1 1 1
112.8661187079 1.0000000000
12 2 2 1 1
1.0767670919 1.0000000000
13 3 3 1 1
1.0368261691 1.0000000000
14 4 4 1 1
0.6070604168 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 1.1e-02
Cl RI_aug-TZVP-MOLOPT-ae_N_RI_057_s_p_d_f_g_h_i_6_5_4_1_1_0_0_error_1.1e-02
17
1 0 0 1 1
0.4482434090 1.0000000000
2 0 0 1 1
0.7075182867 1.0000000000
3 0 0 1 1
2.8583750550 1.0000000000
4 0 0 1 1
15.7789475403 1.0000000000
5 0 0 1 1
86.1093102007 1.0000000000
6 0 0 1 1
420.5063083334 1.0000000000
7 1 1 1 1
0.3895169091 1.0000000000
8 1 1 1 1
1.2210520374 1.0000000000
9 1 1 1 1
5.6940351013 1.0000000000
10 1 1 1 1
25.9513103879 1.0000000000
11 1 1 1 1
99.3632780560 1.0000000000
12 2 2 1 1
0.6582056251 1.0000000000
13 2 2 1 1
1.1559733172 1.0000000000
14 2 2 1 1
5.2734333989 1.0000000000
15 2 2 1 1
37.8412328826 1.0000000000
16 3 3 1 1
0.9876572546 1.0000000000
17 4 4 1 1
1.1436987628 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 4.9e-03
Cl RI_aug-TZVP-MOLOPT-ae_N_RI_064_s_p_d_f_g_h_i_6_5_4_2_1_0_0_error_4.9e-03
18
1 0 0 1 1
0.4214447605 1.0000000000
2 0 0 1 1
0.7479260889 1.0000000000
3 0 0 1 1
2.5870288856 1.0000000000
4 0 0 1 1
14.8084844753 1.0000000000
5 0 0 1 1
86.8923700916 1.0000000000
6 0 0 1 1
397.6518266946 1.0000000000
7 1 1 1 1
0.4364356372 1.0000000000
8 1 1 1 1
0.8979804936 1.0000000000
9 1 1 1 1
2.5947746342 1.0000000000
10 1 1 1 1
16.6114160985 1.0000000000
11 1 1 1 1
105.2100363529 1.0000000000
12 2 2 1 1
0.5159168000 1.0000000000
13 2 2 1 1
1.6050839072 1.0000000000
14 2 2 1 1
6.2812730462 1.0000000000
15 2 2 1 1
22.4393166495 1.0000000000
16 3 3 1 1
0.5549888363 1.0000000000
17 3 3 1 1
1.6557072870 1.0000000000
18 4 4 1 1
1.0746967009 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 1.9e-03
Cl RI_aug-TZVP-MOLOPT-ae_N_RI_079_s_p_d_f_g_h_i_7_6_4_2_1_1_0_error_1.9e-03
21
1 0 0 1 1
0.3689607407 1.0000000000
2 0 0 1 1
0.5788974748 1.0000000000
3 0 0 1 1
1.7221258107 1.0000000000
4 0 0 1 1
6.4710827478 1.0000000000
5 0 0 1 1
27.5076595314 1.0000000000
6 0 0 1 1
111.6161257526 1.0000000000
7 0 0 1 1
419.4795430550 1.0000000000
8 1 1 1 1
0.5008483792 1.0000000000
9 1 1 1 1
0.6902875221 1.0000000000
10 1 1 1 1
2.2590199483 1.0000000000
11 1 1 1 1
8.3540004072 1.0000000000
12 1 1 1 1
34.8619879018 1.0000000000
13 1 1 1 1
131.4408337050 1.0000000000
14 2 2 1 1
0.6727640674 1.0000000000
15 2 2 1 1
0.8781593903 1.0000000000
16 2 2 1 1
3.3168702090 1.0000000000
17 2 2 1 1
19.1614869851 1.0000000000
18 3 3 1 1
0.6631555825 1.0000000000
19 3 3 1 1
1.2406514373 1.0000000000
20 4 4 1 1
0.9635802849 1.0000000000
21 5 5 1 1
1.9911109456 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 8.6e-04
Cl RI_aug-TZVP-MOLOPT-ae_N_RI_102_s_p_d_f_g_h_i_7_6_4_4_2_1_0_error_8.6e-04
24
1 0 0 1 1
0.5003852186 1.0000000000
2 0 0 1 1
1.1334713346 1.0000000000
3 0 0 1 1
2.9543730613 1.0000000000
4 0 0 1 1
10.7024447031 1.0000000000
5 0 0 1 1
38.4353495638 1.0000000000
6 0 0 1 1
127.8254281111 1.0000000000
7 0 0 1 1
412.3890943772 1.0000000000
8 1 1 1 1
0.3628634448 1.0000000000
9 1 1 1 1
0.9117085616 1.0000000000
10 1 1 1 1
2.7868113044 1.0000000000
11 1 1 1 1
10.6364243877 1.0000000000
12 1 1 1 1
38.3777996702 1.0000000000
13 1 1 1 1
121.5285421955 1.0000000000
14 2 2 1 1
0.5117732297 1.0000000000
15 2 2 1 1
1.2502234383 1.0000000000
16 2 2 1 1
3.9020255790 1.0000000000
17 2 2 1 1
10.8638729890 1.0000000000
18 3 3 1 1
0.1879601200 1.0000000000
19 3 3 1 1
0.6601763089 1.0000000000
20 3 3 1 1
1.7480215520 1.0000000000
21 3 3 1 1
4.3416673187 1.0000000000
22 4 4 1 1
0.2740064666 1.0000000000
23 4 4 1 1
1.0061404098 1.0000000000
24 5 5 1 1
0.8845719378 1.0000000000
# RI basis set for Cl (all-electron) relative DI metric: 4.3e-04
Cl RI_aug-TZVP-MOLOPT-ae_N_RI_116_s_p_d_f_g_h_i_7_6_5_4_3_1_0_error_4.3e-04
26
1 0 0 1 1
0.3723952041 1.0000000000
2 0 0 1 1
0.8054492965 1.0000000000
3 0 0 1 1
2.3926313700 1.0000000000
4 0 0 1 1
7.6483762919 1.0000000000
5 0 0 1 1
30.1825004523 1.0000000000
6 0 0 1 1
114.7300482667 1.0000000000
7 0 0 1 1
422.7684618477 1.0000000000
8 1 1 1 1
0.5408463596 1.0000000000
9 1 1 1 1
0.7457136183 1.0000000000
10 1 1 1 1
2.0564702242 1.0000000000
11 1 1 1 1
8.1621624868 1.0000000000
12 1 1 1 1
30.5965416866 1.0000000000
13 1 1 1 1
99.9607329871 1.0000000000
14 2 2 1 1
0.4056605469 1.0000000000
15 2 2 1 1
1.0213901469 1.0000000000
16 2 2 1 1
2.7438413567 1.0000000000
17 2 2 1 1
7.9225262865 1.0000000000
18 2 2 1 1
30.5175181105 1.0000000000
19 3 3 1 1
0.3796553691 1.0000000000
20 3 3 1 1
0.8398904713 1.0000000000
21 3 3 1 1
1.9071036546 1.0000000000
22 3 3 1 1
4.3349358015 1.0000000000
23 4 4 1 1
0.3379373680 1.0000000000
24 4 4 1 1
0.8635504287 1.0000000000
25 4 4 1 1
1.8186751668 1.0000000000
26 5 5 1 1
1.1855348210 1.0000000000
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