mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-21 06:25:15 -04:00
cc basis sets for Li DZ, QZ, aug-TZ for H, C, N, O basis sets from M. del Ben, J. Hutter, J. VandeVondele, JCTC 2013, 9, 2654-2671
1445 lines
36 KiB
Text
1445 lines
36 KiB
Text
# PRIMARY BASIS
|
|
#
|
|
H cc-DZ
|
|
3
|
|
1 0 0 3 1
|
|
8.3744350009 -0.0283380461
|
|
1.8058681460 -0.1333810052
|
|
0.4852528328 -0.3995676063
|
|
1 0 0 1 1
|
|
0.1658236932 1.0000000000
|
|
1 1 1 1 1
|
|
0.7270000000 1.0000000000
|
|
#
|
|
H cc-TZ
|
|
6
|
|
1 0 0 3 1
|
|
10.8827241585 -0.0167058885
|
|
3.0968750876 -0.0627538300
|
|
0.9874518162 -0.1917521975
|
|
1 0 0 1 1
|
|
0.3450687533 1.0000000000
|
|
1 0 0 1 1
|
|
0.1492693554 1.0000000000
|
|
2 1 1 1 1
|
|
1.4070000000 1.0000000000
|
|
2 1 1 1 1
|
|
0.3880000000 1.0000000000
|
|
3 2 2 1 1
|
|
1.0570000000 1.0000000000
|
|
#
|
|
H cc-QZ
|
|
10
|
|
1 0 0 3 1
|
|
12.5350945530 0.0114321687
|
|
4.5491539489 0.0344048283
|
|
1.6685193606 0.1007746979
|
|
1 0 0 1 1
|
|
0.6523849556 1.0000000000
|
|
1 0 0 1 1
|
|
0.2733011244 1.0000000000
|
|
1 0 0 1 1
|
|
0.1390608890 1.0000000000
|
|
1 1 1 1 1
|
|
2.2920000000 1.0000000000
|
|
1 1 1 1 1
|
|
0.8380000000 1.0000000000
|
|
1 1 1 1 1
|
|
0.2920000000 1.0000000000
|
|
1 2 2 1 1
|
|
2.0620000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.6620000000 1.0000000000
|
|
1 3 3 1 1
|
|
1.3970000000 1.0000000000
|
|
#
|
|
Li cc-DZ
|
|
4
|
|
1 0 1 3 1 1
|
|
7.2610457926 -0.2798628497 0.0501840556
|
|
2.1056583087 -0.4477420790 0.1084202571
|
|
0.6439906571 -0.3912929157 0.1448363201
|
|
1 0 0 1 1
|
|
0.1416898954 1.0000000000
|
|
1 1 1 1 1
|
|
0.2623029625 1.0000000000
|
|
1 2 2 1 1
|
|
0.7792082000 1.0000000000
|
|
#
|
|
Li cc-TZ
|
|
7
|
|
1 0 1 3 1 1
|
|
9.0670525492 -0.1411283591 0.0257097367
|
|
4.3499909489 -0.2767569948 0.0520569091
|
|
1.4348215636 -0.4501634495 0.1264219750
|
|
1 0 1 1 1 1
|
|
0.4970537951 1.0000000000 1.0000000000
|
|
1 0 0 1 1
|
|
0.1416898954 1.0000000000
|
|
1 1 1 1 1
|
|
0.2623029625 1.0000000000
|
|
1 2 2 1 1
|
|
0.7792082000 1.0000000000
|
|
1 2 2 1 1
|
|
0.4078992522 1.0000000000
|
|
1 3 3 1 1
|
|
0.7370630000 1.0000000000
|
|
#
|
|
Li cc-QZ
|
|
13
|
|
1 0 1 4 1 1
|
|
11.2399728913 0.0546031957 0.0121121394
|
|
5.9010009273 0.2707752256 0.0442943986
|
|
2.1128841305 0.3250518116 0.0864603159
|
|
0.9242200694 0.3360526690 0.0982556510
|
|
1 0 0 1 1
|
|
0.7002587427 1.0000000000
|
|
1 0 0 1 1
|
|
0.2995868148 1.0000000000
|
|
1 0 0 1 1
|
|
0.1663628762 1.0000000000
|
|
1 1 1 1 1
|
|
0.7487586392 1.0000000000
|
|
1 1 1 1 1
|
|
0.3861408828 1.0000000000
|
|
1 1 1 1 1
|
|
0.2262050319 1.0000000000
|
|
1 2 2 1 1
|
|
0.7792082000 1.0000000000
|
|
1 2 2 1 1
|
|
0.4078992522 1.0000000000
|
|
1 2 2 1 1
|
|
0.2135267570 1.0000000000
|
|
1 3 3 1 1
|
|
0.7370630000 1.0000000000
|
|
1 3 3 1 1
|
|
0.3871078840 1.0000000000
|
|
1 4 4 1 1
|
|
0.7130934715 1.0000000000
|
|
#
|
|
C cc-DZ
|
|
3
|
|
1 0 1 3 1 1
|
|
4.3362376436 0.1490797872 -0.0878123619
|
|
1.2881838513 -0.0292640031 -0.2775560300
|
|
0.4037767149 -0.6882040510 -0.4712295093
|
|
1 0 1 1 1 1
|
|
0.1187877657 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.5500000000 1.0000000000
|
|
#
|
|
C cc-TZ
|
|
6
|
|
2 0 1 3 1 1
|
|
5.3685662937 0.0974901974 -0.0510969367
|
|
1.9830691554 0.1041996677 -0.1693035193
|
|
0.6978346167 -0.3645093878 -0.3579933930
|
|
2 0 1 1 1 1
|
|
0.2430968816 1.0000000000 1.0000000000
|
|
2 0 1 1 1 1
|
|
0.0812865018 1.0000000000 1.0000000000
|
|
3 2 2 1 1
|
|
1.0970000000 1.0000000000
|
|
3 2 2 1 1
|
|
0.3180000000 1.0000000000
|
|
4 3 3 1 1
|
|
0.7610000000 1.0000000000
|
|
#
|
|
C cc-QZ
|
|
10
|
|
1 0 1 3 1 1
|
|
6.2117903778 -0.0646967401 0.0325569458
|
|
2.6063423906 -0.1297753357 0.1202876489
|
|
1.0110258071 0.1365330322 0.2556810166
|
|
1 0 1 1 1 1
|
|
0.4099767831 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.1615409293 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.0597349919 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
1.8480000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.6490000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.2280000000 1.0000000000
|
|
1 3 3 1 1
|
|
1.4190000000 1.0000000000
|
|
1 3 3 1 1
|
|
0.4850000000 1.0000000000
|
|
1 4 4 1 1
|
|
1.0110000000 1.0000000000
|
|
#
|
|
N cc-DZ
|
|
3
|
|
1 0 1 3 1 1
|
|
6.1526903413 0.1506300537 -0.0950603476
|
|
1.8236332280 -0.0360100734 -0.2918864295
|
|
0.5676628870 -0.6942023212 -0.4739050050
|
|
1 0 1 1 1 1
|
|
0.1628222852 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.8170000000 1.0000000000
|
|
#
|
|
N cc-TZ
|
|
6
|
|
2 0 1 3 1 1
|
|
7.6227447102 0.0983924689 -0.0561654555
|
|
2.7970605447 0.1045217098 -0.1798165209
|
|
0.9909765447 -0.3742661352 -0.3653986185
|
|
2 0 1 1 1 1
|
|
0.3417314862 1.0000000000 1.0000000000
|
|
2 0 1 1 1 1
|
|
0.1116822743 1.0000000000 1.0000000000
|
|
3 2 2 1 1
|
|
1.6540000000 1.0000000000
|
|
3 2 2 1 1
|
|
0.4690000000 1.0000000000
|
|
4 3 3 1 1
|
|
1.0930000000 1.0000000000
|
|
#
|
|
N cc-QZ
|
|
10
|
|
1 0 1 3 1 1
|
|
8.8030997240 -0.0653598725 0.0363703004
|
|
3.6785202400 -0.1318019698 0.1277243136
|
|
1.4352947631 0.1465239013 0.2667499496
|
|
1 0 1 1 1 1
|
|
0.5774326402 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.2247320708 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.0818920852 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
2.8370000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.9680000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.3350000000 1.0000000000
|
|
1 3 3 1 1
|
|
2.0270000000 1.0000000000
|
|
1 3 3 1 1
|
|
0.6850000000 1.0000000000
|
|
1 4 4 1 1
|
|
1.4270000000 1.0000000000
|
|
#
|
|
O cc-DZ
|
|
3
|
|
1 0 1 3 1 1
|
|
8.3043855492 0.1510165999 -0.0995679273
|
|
2.4579484191 -0.0393195364 -0.3011422449
|
|
0.7597373434 -0.6971724029 -0.4750857083
|
|
1 0 1 1 1 1
|
|
0.2136388632 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
1.1850000000 1.0000000000
|
|
#
|
|
O cc-TZ
|
|
6
|
|
2 0 1 3 1 1
|
|
10.2674419938 0.0989598460 -0.0595856940
|
|
3.7480495696 0.1041178339 -0.1875649045
|
|
1.3308337704 -0.3808255700 -0.3700707718
|
|
2 0 1 1 1 1
|
|
0.4556802254 1.0000000000 1.0000000000
|
|
2 0 1 1 1 1
|
|
0.1462920596 1.0000000000 1.0000000000
|
|
3 2 2 1 1
|
|
2.3140000000 1.0000000000
|
|
3 2 2 1 1
|
|
0.6450000000 1.0000000000
|
|
4 3 3 1 1
|
|
1.4280000000 1.0000000000
|
|
#
|
|
O cc-QZ
|
|
10
|
|
1 0 1 3 1 1
|
|
11.8298677444 -0.0658681959 0.0389990698
|
|
4.9326307395 -0.1327117781 0.1329824319
|
|
1.9312997298 0.1529660213 0.2737974007
|
|
1 0 1 1 1 1
|
|
0.7724003899 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.2976334392 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.1070061063 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
3.7750000000 1.0000000000
|
|
1 2 2 1 1
|
|
1.3000000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.4440000000 1.0000000000
|
|
1 3 3 1 1
|
|
2.6660000000 1.0000000000
|
|
1 3 3 1 1
|
|
0.8590000000 1.0000000000
|
|
1 4 4 1 1
|
|
1.8460000000 1.0000000000
|
|
#
|
|
F cc-TZ
|
|
6
|
|
1 0 1 3 1 1
|
|
13.1625129789 0.1014784435 -0.0624161251
|
|
4.7972015127 0.1001604122 -0.1948710850
|
|
1.7049975196 -0.3881644200 -0.3737338926
|
|
1 0 1 1 1 1
|
|
0.5814471097 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.1842582220 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
3.1070000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.8550000000 1.0000000000
|
|
1 3 3 1 1
|
|
1.9170000000 1.0000000000
|
|
#
|
|
Al cc-TZ
|
|
6
|
|
1 0 1 3 1 1
|
|
0.9710403542 0.2731273083 0.0318495312
|
|
0.3604758056 -0.1164353642 -0.1582365164
|
|
0.1582849401 -0.6159606293 -0.3791239519
|
|
1 0 1 1 1 1
|
|
0.0674736203 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.0267010818 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.3330000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.1090000000 1.0000000000
|
|
1 3 3 1 1
|
|
0.2440000000 1.0000000000
|
|
#
|
|
Si cc-TZ
|
|
6
|
|
1 0 1 3 1 1
|
|
1.2331731434 0.3150424674 0.0667574395
|
|
0.6579957180 -0.0732928041 -0.1473516106
|
|
0.2547041526 -0.5862322199 -0.4034178654
|
|
1 0 1 1 1 1
|
|
0.1060089904 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.0418790646 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.1590000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.4810000000 1.0000000000
|
|
1 3 3 1 1
|
|
0.3360000000 1.0000000000
|
|
#
|
|
P cc-TZ
|
|
6
|
|
1 0 1 3 1 1
|
|
2.1996341190 -0.0704921557 0.0621639873
|
|
1.6369289280 0.3969825114 -0.0400911635
|
|
0.4970575820 -0.3512429748 -0.3338049853
|
|
2 0 1 1 1 1
|
|
0.1944032900 1.0000000000 1.0000000000
|
|
3 0 1 1 1 1
|
|
0.0699106580 1.0000000000 1.0000000000
|
|
4 2 2 1 1
|
|
0.2160000000 1.0000000000
|
|
5 2 2 1 1
|
|
0.6520000000 1.0000000000
|
|
6 3 3 1 1
|
|
0.4520000000 1.0000000000
|
|
#
|
|
S cc-TZ
|
|
6
|
|
1 0 1 3 1 1
|
|
2.9775941238 -0.0684133054 0.0522484808
|
|
2.0190866819 0.4095039721 -0.0232128642
|
|
0.6439412840 -0.3403336830 -0.3459753011
|
|
1 0 1 1 1 1
|
|
0.2501987605 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.0891650206 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.8190000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.2690000000 1.0000000000
|
|
1 3 3 1 1
|
|
0.5570000000 1.0000000000
|
|
#
|
|
Cl cc-TZ
|
|
6
|
|
1 0 1 3 1 1
|
|
3.4404677360 -0.0962885076 0.0674841325
|
|
2.4424740830 0.4481503162 -0.0388856129
|
|
0.7848604567 -0.3507929510 -0.3633699842
|
|
1 0 1 1 1 1
|
|
0.3048755969 1.0000000000 1.0000000000
|
|
1 0 1 1 1 1
|
|
0.1084717366 1.0000000000 1.0000000000
|
|
1 2 2 1 1
|
|
1.0460000000 1.0000000000
|
|
1 2 2 1 1
|
|
0.3440000000 1.0000000000
|
|
1 3 3 1 1
|
|
0.7060000000 1.0000000000
|
|
#
|
|
# RI BASIS
|
|
#
|
|
H RI_DZ
|
|
6
|
|
1 0 0 1 1
|
|
5.1153315245 1.0000000000
|
|
1 0 0 1 1
|
|
1.1472440266 1.0000000000
|
|
1 0 0 1 1
|
|
0.3203181150 1.0000000000
|
|
1 1 1 1 1
|
|
1.9149400132 1.0000000000
|
|
1 1 1 1 1
|
|
0.9859513111 1.0000000000
|
|
1 2 2 1 1
|
|
1.1714848284 1.0000000000
|
|
#
|
|
H RI_TZ
|
|
10
|
|
1 0 0 1 1
|
|
8.5115919487 1.0000000000
|
|
1 0 0 1 1
|
|
1.8744684087 1.0000000000
|
|
1 0 0 1 1
|
|
0.5632515602 1.0000000000
|
|
1 0 0 1 1
|
|
0.3698299759 1.0000000000
|
|
1 1 1 1 1
|
|
2.3711712242 1.0000000000
|
|
1 1 1 1 1
|
|
1.1794161391 1.0000000000
|
|
1 1 1 1 1
|
|
0.6050431621 1.0000000000
|
|
1 2 2 1 1
|
|
1.8092525711 1.0000000000
|
|
1 2 2 1 1
|
|
1.1433220615 1.0000000000
|
|
1 3 3 1 1
|
|
1.8065804513 1.0000000000
|
|
#
|
|
H RI_aug-TZ
|
|
14
|
|
1 0 0 1 1
|
|
8.5115919485 1.0000000000
|
|
1 0 0 1 1
|
|
1.8744684095 1.0000000000
|
|
1 0 0 1 1
|
|
0.5632515572 1.0000000000
|
|
1 0 0 1 1
|
|
0.3698299722 1.0000000000
|
|
1 0 0 1 1
|
|
0.1271943788 1.0000000000
|
|
1 1 1 1 1
|
|
2.3711712240 1.0000000000
|
|
1 1 1 1 1
|
|
1.1794161384 1.0000000000
|
|
1 1 1 1 1
|
|
0.6050431657 1.0000000000
|
|
1 1 1 1 1
|
|
0.2355128808 1.0000000000
|
|
1 2 2 1 1
|
|
1.8092525714 1.0000000000
|
|
1 2 2 1 1
|
|
1.1433220613 1.0000000000
|
|
1 2 2 1 1
|
|
0.4366540556 1.0000000000
|
|
1 3 3 1 1
|
|
1.8065804519 1.0000000000
|
|
1 3 3 1 1
|
|
0.2529778825 1.0000000000
|
|
|
|
#
|
|
H RI_QZ
|
|
15
|
|
1 0 0 1 1
|
|
21.8836407899 1.0000000000
|
|
1 0 0 1 1
|
|
4.2837783127 1.0000000000
|
|
1 0 0 1 1
|
|
1.0341692710 1.0000000000
|
|
1 0 0 1 1
|
|
0.3649238254 1.0000000000
|
|
1 0 0 1 1
|
|
0.2633199973 1.0000000000
|
|
1 1 1 1 1
|
|
3.1831765616 1.0000000000
|
|
1 1 1 1 1
|
|
1.1560955307 1.0000000000
|
|
1 1 1 1 1
|
|
0.4717540578 1.0000000000
|
|
1 1 1 1 1
|
|
0.4043255615 1.0000000000
|
|
1 2 2 1 1
|
|
2.7025458136 1.0000000000
|
|
1 2 2 1 1
|
|
0.8706533217 1.0000000000
|
|
1 2 2 1 1
|
|
0.4927409430 1.0000000000
|
|
1 3 3 1 1
|
|
1.7575809669 1.0000000000
|
|
1 3 3 1 1
|
|
0.6774627457 1.0000000000
|
|
1 4 4 1 1
|
|
2.0718370753 1.0000000000
|
|
#
|
|
Li RI_DZ
|
|
18
|
|
1 0 0 1 1
|
|
15.4075090251 1.0000000000
|
|
1 0 0 1 1
|
|
7.5872420447 1.0000000000
|
|
1 0 0 1 1
|
|
3.5645305169 1.0000000000
|
|
1 0 0 1 1
|
|
1.7791817122 1.0000000000
|
|
1 0 0 1 1
|
|
0.6724489043 1.0000000000
|
|
1 0 0 1 1
|
|
0.1497091817 1.0000000000
|
|
1 0 0 1 1
|
|
0.3338894331 1.0000000000
|
|
1 1 1 1 1
|
|
8.1649199005 1.0000000000
|
|
1 1 1 1 1
|
|
3.5267262946 1.0000000000
|
|
1 1 1 1 1
|
|
2.4549269789 1.0000000000
|
|
1 1 1 1 1
|
|
1.3259129675 1.0000000000
|
|
1 1 1 1 1
|
|
0.3541848358 1.0000000000
|
|
1 2 2 1 1
|
|
3.0611033797 1.0000000000
|
|
1 2 2 1 1
|
|
1.2435931196 1.0000000000
|
|
1 2 2 1 1
|
|
0.6844028824 1.0000000000
|
|
1 2 2 1 1
|
|
0.4252363042 1.0000000000
|
|
1 3 3 1 1
|
|
1.2229210183 1.0000000000
|
|
1 3 3 1 1
|
|
0.5469462909 1.0000000000
|
|
#
|
|
Li RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
20.4866288836 1.0000000000
|
|
1 0 0 1 1
|
|
6.2390509091 1.0000000000
|
|
1 0 0 1 1
|
|
1.9296157322 1.0000000000
|
|
1 0 0 1 1
|
|
0.5626591247 1.0000000000
|
|
1 0 0 1 1
|
|
0.4141297958 1.0000000000
|
|
1 0 0 1 1
|
|
0.3923657216 1.0000000000
|
|
1 1 1 1 1
|
|
9.9365986425 1.0000000000
|
|
1 1 1 1 1
|
|
2.7889833804 1.0000000000
|
|
1 1 1 1 1
|
|
0.9286440265 1.0000000000
|
|
1 1 1 1 1
|
|
0.3847244053 1.0000000000
|
|
1 1 1 1 1
|
|
0.6475680325 1.0000000000
|
|
1 2 2 1 1
|
|
3.7110915033 1.0000000000
|
|
1 2 2 1 1
|
|
1.1961419325 1.0000000000
|
|
1 2 2 1 1
|
|
0.7823368019 1.0000000000
|
|
1 2 2 1 1
|
|
0.8488706028 1.0000000000
|
|
1 2 2 1 1
|
|
0.6553594350 1.0000000000
|
|
1 3 3 1 1
|
|
1.6226778073 1.0000000000
|
|
1 3 3 1 1
|
|
0.8963884489 1.0000000000
|
|
1 3 3 1 1
|
|
0.5040537708 1.0000000000
|
|
1 4 4 1 1
|
|
0.7667872660 1.0000000000
|
|
#
|
|
Li RI_QZ
|
|
27
|
|
1 0 0 1 1
|
|
20.8696777862 1.0000000000
|
|
1 0 0 1 1
|
|
6.5148251347 1.0000000000
|
|
1 0 0 1 1
|
|
1.9444021594 1.0000000000
|
|
1 0 0 1 1
|
|
0.9141134571 1.0000000000
|
|
1 0 0 1 1
|
|
0.2898372224 1.0000000000
|
|
1 0 0 1 1
|
|
0.3126185458 1.0000000000
|
|
1 1 1 1 1
|
|
17.5191697320 1.0000000000
|
|
1 1 1 1 1
|
|
5.5358829972 1.0000000000
|
|
1 1 1 1 1
|
|
1.8973010118 1.0000000000
|
|
1 1 1 1 1
|
|
0.6622885979 1.0000000000
|
|
1 1 1 1 1
|
|
0.3436356356 1.0000000000
|
|
1 1 1 1 1
|
|
0.3919054169 1.0000000000
|
|
1 2 2 1 1
|
|
6.8005911517 1.0000000000
|
|
1 2 2 1 1
|
|
2.1941470785 1.0000000000
|
|
1 2 2 1 1
|
|
0.9209108757 1.0000000000
|
|
1 2 2 1 1
|
|
0.4282534484 1.0000000000
|
|
1 2 2 1 1
|
|
0.3214210756 1.0000000000
|
|
1 2 2 1 1
|
|
0.2857992444 1.0000000000
|
|
1 3 3 1 1
|
|
2.7598750548 1.0000000000
|
|
1 3 3 1 1
|
|
0.9881842788 1.0000000000
|
|
1 3 3 1 1
|
|
0.5537043003 1.0000000000
|
|
1 3 3 1 1
|
|
0.4337422764 1.0000000000
|
|
1 3 3 1 1
|
|
0.3322594833 1.0000000000
|
|
1 4 4 1 1
|
|
1.3936172672 1.0000000000
|
|
1 4 4 1 1
|
|
0.8518267654 1.0000000000
|
|
1 4 4 1 1
|
|
0.5691281685 1.0000000000
|
|
1 5 5 1 1
|
|
0.8327932867 1.0000000000
|
|
#
|
|
C RI_DZ
|
|
15
|
|
1 0 0 1 1
|
|
13.8045000000 1.0000000000
|
|
1 0 0 1 1
|
|
4.7727700000 1.0000000000
|
|
1 0 0 1 1
|
|
1.5133300005 1.0000000000
|
|
1 0 0 1 1
|
|
0.7826969986 1.0000000000
|
|
1 0 0 1 1
|
|
0.4090720022 1.0000000000
|
|
1 0 0 1 1
|
|
0.2067960415 1.0000000000
|
|
1 1 1 1 1
|
|
6.0052300018 1.0000000000
|
|
1 1 1 1 1
|
|
1.7206000311 1.0000000000
|
|
1 1 1 1 1
|
|
0.7544648237 1.0000000000
|
|
1 1 1 1 1
|
|
0.3216662007 1.0000000000
|
|
1 2 2 1 1
|
|
2.6784400611 1.0000000000
|
|
1 2 2 1 1
|
|
0.9225147829 1.0000000000
|
|
1 2 2 1 1
|
|
0.3408412315 1.0000000000
|
|
1 3 3 1 1
|
|
2.7429299969 1.0000000000
|
|
1 3 3 1 1
|
|
0.8957560323 1.0000000000
|
|
#
|
|
C RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.1907761955 1.0000000000
|
|
2 0 0 1 1
|
|
0.4229488575 1.0000000000
|
|
3 0 0 1 1
|
|
0.8883549776 1.0000000000
|
|
4 0 0 1 1
|
|
1.8995615704 1.0000000000
|
|
5 0 0 1 1
|
|
4.1073140824 1.0000000000
|
|
6 0 0 1 1
|
|
8.8568509722 1.0000000000
|
|
7 1 1 1 1
|
|
0.2171062641 1.0000000000
|
|
8 1 1 1 1
|
|
0.5060170982 1.0000000000
|
|
9 1 1 1 1
|
|
1.0824983262 1.0000000000
|
|
10 1 1 1 1
|
|
3.0822169988 1.0000000000
|
|
11 1 1 1 1
|
|
8.4667887188 1.0000000000
|
|
12 2 2 1 1
|
|
0.2299532149 1.0000000000
|
|
13 2 2 1 1
|
|
0.5888265844 1.0000000000
|
|
14 2 2 1 1
|
|
1.2749599593 1.0000000000
|
|
15 2 2 1 1
|
|
3.1387232393 1.0000000000
|
|
16 2 2 1 1
|
|
8.2166889607 1.0000000000
|
|
17 3 3 1 1
|
|
0.6089199274 1.0000000000
|
|
18 3 3 1 1
|
|
1.2780139894 1.0000000000
|
|
19 3 3 1 1
|
|
3.1049693568 1.0000000000
|
|
20 4 4 1 1
|
|
1.2531242846 1.000000000
|
|
#
|
|
C RI_QZ
|
|
28
|
|
1 0 0 1 1
|
|
22.2607513014 1.0000000000
|
|
1 0 0 1 1
|
|
9.1711906239 1.0000000000
|
|
1 0 0 1 1
|
|
4.1776952190 1.0000000000
|
|
1 0 0 1 1
|
|
1.6258588934 1.0000000000
|
|
1 0 0 1 1
|
|
0.8219522437 1.0000000000
|
|
1 0 0 1 1
|
|
0.3862582035 1.0000000000
|
|
1 0 0 1 1
|
|
0.1441320589 1.0000000000
|
|
1 1 1 1 1
|
|
12.3257751628 1.0000000000
|
|
1 1 1 1 1
|
|
3.5889280067 1.0000000000
|
|
1 1 1 1 1
|
|
1.6778083527 1.0000000000
|
|
1 1 1 1 1
|
|
1.0256600363 1.0000000000
|
|
1 1 1 1 1
|
|
0.4543188304 1.0000000000
|
|
1 1 1 1 1
|
|
0.2101259978 1.0000000000
|
|
1 2 2 1 1
|
|
16.9354387337 1.0000000000
|
|
1 2 2 1 1
|
|
5.6402135494 1.0000000000
|
|
1 2 2 1 1
|
|
2.2045189867 1.0000000000
|
|
1 2 2 1 1
|
|
1.0364688977 1.0000000000
|
|
1 2 2 1 1
|
|
0.5990785863 1.0000000000
|
|
1 2 2 1 1
|
|
0.3099870902 1.0000000000
|
|
1 3 3 1 1
|
|
5.4481526796 1.0000000000
|
|
1 3 3 1 1
|
|
2.2579331342 1.0000000000
|
|
1 3 3 1 1
|
|
1.7272774899 1.0000000000
|
|
1 3 3 1 1
|
|
0.7431630691 1.0000000000
|
|
1 3 3 1 1
|
|
0.3803455879 1.0000000000
|
|
1 4 4 1 1
|
|
2.8115066535 1.0000000000
|
|
1 4 4 1 1
|
|
1.3527420575 1.0000000000
|
|
1 4 4 1 1
|
|
0.7055276172 1.0000000000
|
|
1 5 5 1 1
|
|
1.4978628807 1.0000000000
|
|
#
|
|
C RI_aug-TZ
|
|
1 0 0 1 1
|
|
22.2607894178 1.0000000000
|
|
1 0 0 1 1
|
|
7.1311049748 1.0000000000
|
|
1 0 0 1 1
|
|
3.5361478700 1.0000000000
|
|
1 0 0 1 1
|
|
1.2292322338 1.0000000000
|
|
1 0 0 1 1
|
|
0.3386604648 1.0000000000
|
|
1 0 0 1 1
|
|
0.3964580653 1.0000000000
|
|
1 0 0 1 1
|
|
0.1566399514 1.0000000000
|
|
1 1 1 1 1
|
|
7.2966285634 1.0000000000
|
|
1 1 1 1 1
|
|
3.7872245014 1.0000000000
|
|
1 1 1 1 1
|
|
1.0714899397 1.0000000000
|
|
1 1 1 1 1
|
|
0.2682112288 1.0000000000
|
|
1 1 1 1 1
|
|
0.5317291149 1.0000000000
|
|
1 1 1 1 1
|
|
0.1367870180 1.0000000000
|
|
1 2 2 1 1
|
|
9.8999009258 1.0000000000
|
|
1 2 2 1 1
|
|
2.3408471998 1.0000000000
|
|
1 2 2 1 1
|
|
1.5175096102 1.0000000000
|
|
1 2 2 1 1
|
|
0.5730011663 1.0000000000
|
|
1 2 2 1 1
|
|
0.3653882184 1.0000000000
|
|
1 2 2 1 1
|
|
0.1650569532 1.0000000000
|
|
1 3 3 1 1
|
|
1.9330492231 1.0000000000
|
|
1 3 3 1 1
|
|
1.1479119840 1.0000000000
|
|
1 3 3 1 1
|
|
0.4837944355 1.0000000000
|
|
1 3 3 1 1
|
|
0.2499341056 1.0000000000
|
|
1 4 4 1 1
|
|
1.2477866288 1.0000000000
|
|
1 4 4 1 1
|
|
0.4208825555 1.0000000000
|
|
#
|
|
N RI_DZ
|
|
15
|
|
1 0 0 1 1
|
|
20.4678978643 1.0000000000
|
|
1 0 0 1 1
|
|
7.6243888531 1.0000000000
|
|
1 0 0 1 1
|
|
2.3446722210 1.0000000000
|
|
1 0 0 1 1
|
|
1.1234062160 1.0000000000
|
|
1 0 0 1 1
|
|
0.7258555682 1.0000000000
|
|
1 0 0 1 1
|
|
0.3516451521 1.0000000000
|
|
1 1 1 1 1
|
|
8.5530798511 1.0000000000
|
|
1 1 1 1 1
|
|
2.5349440268 1.0000000000
|
|
1 1 1 1 1
|
|
1.0857134625 1.0000000000
|
|
1 1 1 1 1
|
|
0.4193736786 1.0000000000
|
|
1 2 2 1 1
|
|
3.4384121802 1.0000000000
|
|
1 2 2 1 1
|
|
1.2761051199 1.0000000000
|
|
1 2 2 1 1
|
|
0.3971760294 1.0000000000
|
|
1 3 3 1 1
|
|
3.4010871209 1.0000000000
|
|
1 3 3 1 1
|
|
1.3350506486 1.0000000000
|
|
#
|
|
N RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.2708050088 1.0000000000
|
|
2 0 0 1 1
|
|
0.6314985697 1.0000000000
|
|
3 0 0 1 1
|
|
1.1428011366 1.0000000000
|
|
4 0 0 1 1
|
|
2.3951063602 1.0000000000
|
|
5 0 0 1 1
|
|
5.4873751532 1.0000000000
|
|
6 0 0 1 1
|
|
12.2661898740 1.0000000000
|
|
7 1 1 1 1
|
|
0.3182446349 1.0000000000
|
|
8 1 1 1 1
|
|
0.7475938310 1.0000000000
|
|
9 1 1 1 1
|
|
1.5525972312 1.0000000000
|
|
10 1 1 1 1
|
|
3.9812719334 1.0000000000
|
|
11 1 1 1 1
|
|
11.1988305336 1.0000000000
|
|
12 2 2 1 1
|
|
0.3592355381 1.0000000000
|
|
13 2 2 1 1
|
|
0.7018727688 1.0000000000
|
|
14 2 2 1 1
|
|
1.5188885999 1.0000000000
|
|
15 2 2 1 1
|
|
3.3548003752 1.0000000000
|
|
16 2 2 1 1
|
|
8.6467497606 1.0000000000
|
|
17 3 3 1 1
|
|
0.9286587734 1.0000000000
|
|
18 3 3 1 1
|
|
1.6984430654 1.0000000000
|
|
19 3 3 1 1
|
|
3.7395190134 1.0000000000
|
|
20 4 4 1 1
|
|
1.7463252286 1.0000000000
|
|
#
|
|
N RI_QZ
|
|
28
|
|
1 0 0 1 1
|
|
24.8119918868 1.0000000000
|
|
1 0 0 1 1
|
|
14.1329856045 1.0000000000
|
|
1 0 0 1 1
|
|
5.1560164548 1.0000000000
|
|
1 0 0 1 1
|
|
2.0346151591 1.0000000000
|
|
1 0 0 1 1
|
|
1.0717634893 1.0000000000
|
|
1 0 0 1 1
|
|
0.4326153582 1.0000000000
|
|
1 0 0 1 1
|
|
0.2212937877 1.0000000000
|
|
1 1 1 1 1
|
|
16.9232949791 1.0000000000
|
|
1 1 1 1 1
|
|
5.0136709675 1.0000000000
|
|
1 1 1 1 1
|
|
2.7538605430 1.0000000000
|
|
1 1 1 1 1
|
|
1.5239936234 1.0000000000
|
|
1 1 1 1 1
|
|
0.4465172891 1.0000000000
|
|
1 1 1 1 1
|
|
0.2915834775 1.0000000000
|
|
1 2 2 1 1
|
|
18.1362034904 1.0000000000
|
|
1 2 2 1 1
|
|
8.3550849902 1.0000000000
|
|
1 2 2 1 1
|
|
3.3621282435 1.0000000000
|
|
1 2 2 1 1
|
|
1.5147290949 1.0000000000
|
|
1 2 2 1 1
|
|
0.7285380541 1.0000000000
|
|
1 2 2 1 1
|
|
0.3347630139 1.0000000000
|
|
1 3 3 1 1
|
|
8.4768954627 1.0000000000
|
|
1 3 3 1 1
|
|
3.5838732219 1.0000000000
|
|
1 3 3 1 1
|
|
2.4054939023 1.0000000000
|
|
1 3 3 1 1
|
|
1.1573691162 1.0000000000
|
|
1 3 3 1 1
|
|
0.6966832057 1.0000000000
|
|
1 4 4 1 1
|
|
4.1849018388 1.0000000000
|
|
1 4 4 1 1
|
|
1.9103405345 1.0000000000
|
|
1 4 4 1 1
|
|
0.9573192353 1.0000000000
|
|
1 5 5 1 1
|
|
2.2576487539 1.0000000000
|
|
#
|
|
N RI_aug-TZ
|
|
25
|
|
1 0 0 1 1
|
|
21.6812531415 1.0000000000
|
|
1 0 0 1 1
|
|
7.9025148444 1.0000000000
|
|
1 0 0 1 1
|
|
2.4432178331 1.0000000000
|
|
1 0 0 1 1
|
|
1.2591112361 1.0000000000
|
|
1 0 0 1 1
|
|
0.8066006483 1.0000000000
|
|
1 0 0 1 1
|
|
0.3098441144 1.0000000000
|
|
1 0 0 1 1
|
|
0.1268929653 1.0000000000
|
|
1 1 1 1 1
|
|
10.3294490940 1.0000000000
|
|
1 1 1 1 1
|
|
2.9171267908 1.0000000000
|
|
1 1 1 1 1
|
|
1.3834260225 1.0000000000
|
|
1 1 1 1 1
|
|
0.7162102508 1.0000000000
|
|
1 1 1 1 1
|
|
0.3314069494 1.0000000000
|
|
1 1 1 1 1
|
|
0.1571683792 1.0000000000
|
|
1 2 2 1 1
|
|
13.9093003161 1.0000000000
|
|
1 2 2 1 1
|
|
4.5797926504 1.0000000000
|
|
1 2 2 1 1
|
|
2.1820204697 1.0000000000
|
|
1 2 2 1 1
|
|
0.8352673845 1.0000000000
|
|
1 2 2 1 1
|
|
0.4618766373 1.0000000000
|
|
1 2 2 1 1
|
|
0.1793242786 1.0000000000
|
|
1 3 3 1 1
|
|
3.4719799093 1.0000000000
|
|
1 3 3 1 1
|
|
1.5402559558 1.0000000000
|
|
1 3 3 1 1
|
|
0.8113529833 1.0000000000
|
|
1 3 3 1 1
|
|
0.4147985564 1.0000000000
|
|
1 4 4 1 1
|
|
1.8339869741 1.0000000000
|
|
1 4 4 1 1
|
|
0.5800087507 1.0000000000
|
|
#
|
|
O RI_DZ
|
|
15
|
|
1 0 0 1 1
|
|
25.5779913844 1.0000000000
|
|
1 0 0 1 1
|
|
9.5515670675 1.0000000000
|
|
1 0 0 1 1
|
|
2.9409752222 1.0000000000
|
|
1 0 0 1 1
|
|
1.3964896911 1.0000000000
|
|
1 0 0 1 1
|
|
0.9105756313 1.0000000000
|
|
1 0 0 1 1
|
|
0.4821009543 1.0000000000
|
|
1 1 1 1 1
|
|
10.8823093197 1.0000000000
|
|
1 1 1 1 1
|
|
3.2132775587 1.0000000000
|
|
1 1 1 1 1
|
|
1.3802086101 1.0000000000
|
|
1 1 1 1 1
|
|
0.4601246170 1.0000000000
|
|
1 2 2 1 1
|
|
4.5934895346 1.0000000000
|
|
1 2 2 1 1
|
|
1.7871052175 1.0000000000
|
|
1 2 2 1 1
|
|
0.4206288858 1.0000000000
|
|
1 3 3 1 1
|
|
4.2218855419 1.0000000000
|
|
1 3 3 1 1
|
|
1.7894864633 1.0000000000
|
|
#
|
|
O RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.3001921181 1.0000000000
|
|
2 0 0 1 1
|
|
0.7130597908 1.0000000000
|
|
3 0 0 1 1
|
|
1.4016729558 1.0000000000
|
|
4 0 0 1 1
|
|
3.1081574153 1.0000000000
|
|
5 0 0 1 1
|
|
7.1960320376 1.0000000000
|
|
6 0 0 1 1
|
|
16.3153012804 1.0000000000
|
|
7 1 1 1 1
|
|
0.4010742879 1.0000000000
|
|
8 1 1 1 1
|
|
1.0344215872 1.0000000000
|
|
9 1 1 1 1
|
|
2.2421928067 1.0000000000
|
|
10 1 1 1 1
|
|
5.5721697450 1.0000000000
|
|
11 1 1 1 1
|
|
15.5109987721 1.0000000000
|
|
12 2 2 1 1
|
|
0.3420404074 1.0000000000
|
|
13 2 2 1 1
|
|
1.1851070865 1.0000000000
|
|
14 2 2 1 1
|
|
1.7809528984 1.0000000000
|
|
15 2 2 1 1
|
|
4.3991091556 1.0000000000
|
|
16 2 2 1 1
|
|
10.8808436795 1.0000000000
|
|
17 3 3 1 1
|
|
1.1441005868 1.0000000000
|
|
18 3 3 1 1
|
|
2.7045067621 1.0000000000
|
|
19 3 3 1 1
|
|
5.5454963053 1.0000000000
|
|
20 4 4 1 1
|
|
2.3581227526 1.0000000000
|
|
#
|
|
O RI_QZ
|
|
28
|
|
1 0 0 1 1
|
|
25.1171488340 1.0000000000
|
|
1 0 0 1 1
|
|
10.9988949559 1.0000000000
|
|
1 0 0 1 1
|
|
5.2203513956 1.0000000000
|
|
1 0 0 1 1
|
|
2.5635414246 1.0000000000
|
|
1 0 0 1 1
|
|
1.4596894435 1.0000000000
|
|
1 0 0 1 1
|
|
0.5707079211 1.0000000000
|
|
1 0 0 1 1
|
|
0.2617953114 1.0000000000
|
|
1 1 1 1 1
|
|
22.2940116431 1.0000000000
|
|
1 1 1 1 1
|
|
6.5639643213 1.0000000000
|
|
1 1 1 1 1
|
|
3.3299598934 1.0000000000
|
|
1 1 1 1 1
|
|
1.8046495806 1.0000000000
|
|
1 1 1 1 1
|
|
0.7131487424 1.0000000000
|
|
1 1 1 1 1
|
|
0.2538249681 1.0000000000
|
|
1 2 2 1 1
|
|
20.3940468678 1.0000000000
|
|
1 2 2 1 1
|
|
8.6350329632 1.0000000000
|
|
1 2 2 1 1
|
|
3.8970951312 1.0000000000
|
|
1 2 2 1 1
|
|
2.0821559241 1.0000000000
|
|
1 2 2 1 1
|
|
0.8514967324 1.0000000000
|
|
1 2 2 1 1
|
|
0.3199376954 1.0000000000
|
|
1 3 3 1 1
|
|
10.5013624254 1.0000000000
|
|
1 3 3 1 1
|
|
4.4385110415 1.0000000000
|
|
1 3 3 1 1
|
|
2.9269655994 1.0000000000
|
|
1 3 3 1 1
|
|
1.3555345603 1.0000000000
|
|
1 3 3 1 1
|
|
0.7686657288 1.0000000000
|
|
1 4 4 1 1
|
|
4.9489437981 1.0000000000
|
|
1 4 4 1 1
|
|
2.5423690215 1.0000000000
|
|
1 4 4 1 1
|
|
1.2221256329 1.0000000000
|
|
1 5 5 1 1
|
|
2.7925756719 1.0000000000
|
|
#
|
|
O RI_aug-TZ
|
|
25
|
|
1 0 0 1 1
|
|
24.5594778908 1.0000000000
|
|
1 0 0 1 1
|
|
8.3252432062 1.0000000000
|
|
1 0 0 1 1
|
|
2.8877758448 1.0000000000
|
|
1 0 0 1 1
|
|
1.3338578145 1.0000000000
|
|
1 0 0 1 1
|
|
0.8759587434 1.0000000000
|
|
1 0 0 1 1
|
|
0.3088462706 1.0000000000
|
|
1 0 0 1 1
|
|
0.1334445716 1.0000000000
|
|
1 1 1 1 1
|
|
15.0340339955 1.0000000000
|
|
1 1 1 1 1
|
|
3.9833059875 1.0000000000
|
|
1 1 1 1 1
|
|
2.2147554194 1.0000000000
|
|
1 1 1 1 1
|
|
0.8978846245 1.0000000000
|
|
1 1 1 1 1
|
|
0.4120957380 1.0000000000
|
|
1 1 1 1 1
|
|
0.2202202428 1.0000000000
|
|
1 2 2 1 1
|
|
15.8677077380 1.0000000000
|
|
1 2 2 1 1
|
|
5.3839858420 1.0000000000
|
|
1 2 2 1 1
|
|
2.5119992885 1.0000000000
|
|
1 2 2 1 1
|
|
1.1057110614 1.0000000000
|
|
1 2 2 1 1
|
|
0.6193199733 1.0000000000
|
|
1 2 2 1 1
|
|
0.3469934949 1.0000000000
|
|
1 3 3 1 1
|
|
4.6808384673 1.0000000000
|
|
1 3 3 1 1
|
|
2.1629899430 1.0000000000
|
|
1 3 3 1 1
|
|
1.0303594782 1.0000000000
|
|
1 3 3 1 1
|
|
0.4177291604 1.0000000000
|
|
1 4 4 1 1
|
|
2.4007943423 1.0000000000
|
|
1 4 4 1 1
|
|
0.7837636176 1.0000000000
|
|
#
|
|
F RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.3848303381 1.0000000000
|
|
2 0 0 1 1
|
|
0.8950501834 1.0000000000
|
|
3 0 0 1 1
|
|
1.7570660665 1.0000000000
|
|
4 0 0 1 1
|
|
3.9629764097 1.0000000000
|
|
5 0 0 1 1
|
|
9.3804923450 1.0000000000
|
|
6 0 0 1 1
|
|
21.2673997813 1.0000000000
|
|
7 1 1 1 1
|
|
0.6344853924 1.0000000000
|
|
8 1 1 1 1
|
|
1.0959383395 1.0000000000
|
|
9 1 1 1 1
|
|
3.2954383982 1.0000000000
|
|
10 1 1 1 1
|
|
7.8733395909 1.0000000000
|
|
11 1 1 1 1
|
|
20.3706547999 1.0000000000
|
|
12 2 2 1 1
|
|
0.4397474550 1.0000000000
|
|
13 2 2 1 1
|
|
1.1094165703 1.0000000000
|
|
14 2 2 1 1
|
|
2.3569792758 1.0000000000
|
|
15 2 2 1 1
|
|
5.3131979527 1.0000000000
|
|
16 2 2 1 1
|
|
13.9739931196 1.0000000000
|
|
17 3 3 1 1
|
|
1.4190509920 1.0000000000
|
|
18 3 3 1 1
|
|
3.1550141314 1.0000000000
|
|
19 3 3 1 1
|
|
6.6585520891 1.0000000000
|
|
20 4 4 1 1
|
|
3.0734979086 1.0000000000
|
|
#
|
|
Al RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.0667521222 1.0000000000
|
|
2 0 0 1 1
|
|
0.1263212956 1.0000000000
|
|
3 0 0 1 1
|
|
0.2389785935 1.0000000000
|
|
4 0 0 1 1
|
|
0.4522732469 1.0000000000
|
|
5 0 0 1 1
|
|
0.8557858184 1.0000000000
|
|
6 0 0 1 1
|
|
1.6188594640 1.0000000000
|
|
7 1 1 1 1
|
|
0.0668015360 1.0000000000
|
|
8 1 1 1 1
|
|
0.1467915183 1.0000000000
|
|
9 1 1 1 1
|
|
0.3296304151 1.0000000000
|
|
10 1 1 1 1
|
|
0.7299272379 1.0000000000
|
|
11 1 1 1 1
|
|
1.6173832025 1.0000000000
|
|
12 2 2 1 1
|
|
0.0680356425 1.0000000000
|
|
13 2 2 1 1
|
|
0.1556284514 1.0000000000
|
|
14 2 2 1 1
|
|
0.3305609286 1.0000000000
|
|
15 2 2 1 1
|
|
0.6962690707 1.0000000000
|
|
16 2 2 1 1
|
|
1.5849906948 1.0000000000
|
|
17 3 3 1 1
|
|
0.2059704247 1.0000000000
|
|
18 3 3 1 1
|
|
0.3544900191 1.0000000000
|
|
19 3 3 1 1
|
|
1.0533240102 1.0000000000
|
|
20 4 4 1 1
|
|
0.3625256799 1.0000000000
|
|
#
|
|
Si RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.1046978719 1.0000000000
|
|
2 0 0 1 1
|
|
0.1899046599 1.0000000000
|
|
3 0 0 1 1
|
|
0.3444646714 1.0000000000
|
|
4 0 0 1 1
|
|
0.6247011118 1.0000000000
|
|
5 0 0 1 1
|
|
1.1329789242 1.0000000000
|
|
6 0 0 1 1
|
|
2.0550507335 1.0000000000
|
|
7 1 1 1 1
|
|
0.1047001959 1.0000000000
|
|
8 1 1 1 1
|
|
0.2203646995 1.0000000000
|
|
9 1 1 1 1
|
|
0.4638666708 1.0000000000
|
|
10 1 1 1 1
|
|
0.9763984629 1.0000000000
|
|
11 1 1 1 1
|
|
2.0552168939 1.0000000000
|
|
12 2 2 1 1
|
|
0.1047142778 1.0000000000
|
|
13 2 2 1 1
|
|
0.2204510690 1.0000000000
|
|
14 2 2 1 1
|
|
0.4659876572 1.0000000000
|
|
15 2 2 1 1
|
|
0.9757539934 1.0000000000
|
|
16 2 2 1 1
|
|
2.0531453374 1.0000000000
|
|
17 3 3 1 1
|
|
0.2515145339 1.0000000000
|
|
18 3 3 1 1
|
|
0.5990506048 1.0000000000
|
|
19 3 3 1 1
|
|
1.4275796887 1.0000000000
|
|
20 4 4 1 1
|
|
0.5348433065 1.0000000000
|
|
#
|
|
P RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.1700897605 1.0000000000
|
|
2 0 0 1 1
|
|
0.3159007956 1.0000000000
|
|
3 0 0 1 1
|
|
0.5848566736 1.0000000000
|
|
4 0 0 1 1
|
|
1.0798975378 1.0000000000
|
|
5 0 0 1 1
|
|
1.9891261430 1.0000000000
|
|
6 0 0 1 1
|
|
3.6599818360 1.0000000000
|
|
7 1 1 1 1
|
|
0.1770835421 1.0000000000
|
|
8 1 1 1 1
|
|
0.3712666570 1.0000000000
|
|
9 1 1 1 1
|
|
0.7848298015 1.0000000000
|
|
10 1 1 1 1
|
|
1.6935740011 1.0000000000
|
|
11 1 1 1 1
|
|
3.6455535636 1.0000000000
|
|
12 2 2 1 1
|
|
0.1779897062 1.0000000000
|
|
13 2 2 1 1
|
|
0.3922935212 1.0000000000
|
|
14 2 2 1 1
|
|
0.8167280419 1.0000000000
|
|
15 2 2 1 1
|
|
1.6894330457 1.0000000000
|
|
16 2 2 1 1
|
|
3.6309958093 1.0000000000
|
|
17 3 3 1 1
|
|
0.4033475155 1.0000000000
|
|
18 3 3 1 1
|
|
0.8926669009 1.0000000000
|
|
19 3 3 1 1
|
|
2.2578142380 1.0000000000
|
|
20 4 4 1 1
|
|
0.6897301328 1.0000000000
|
|
#
|
|
S RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.1820014752 1.0000000000
|
|
2 0 0 1 1
|
|
0.3645917535 1.0000000000
|
|
3 0 0 1 1
|
|
0.7104663019 1.0000000000
|
|
4 0 0 1 1
|
|
1.3693628430 1.0000000000
|
|
5 0 0 1 1
|
|
2.5999277155 1.0000000000
|
|
6 0 0 1 1
|
|
4.8878764540 1.0000000000
|
|
7 1 1 1 1
|
|
0.2484577851 1.0000000000
|
|
8 1 1 1 1
|
|
0.4353393416 1.0000000000
|
|
9 1 1 1 1
|
|
0.8571429348 1.0000000000
|
|
10 1 1 1 1
|
|
2.0518507959 1.0000000000
|
|
11 1 1 1 1
|
|
4.7157513476 1.0000000000
|
|
12 2 2 1 1
|
|
0.2290741664 1.0000000000
|
|
13 2 2 1 1
|
|
0.5839875894 1.0000000000
|
|
14 2 2 1 1
|
|
0.9994798165 1.0000000000
|
|
15 2 2 1 1
|
|
2.1029684164 1.0000000000
|
|
16 2 2 1 1
|
|
4.7708238616 1.0000000000
|
|
17 3 3 1 1
|
|
0.5002165820 1.0000000000
|
|
18 3 3 1 1
|
|
1.0704127243 1.0000000000
|
|
19 3 3 1 1
|
|
2.5409966576 1.0000000000
|
|
20 4 4 1 1
|
|
0.8792843941 1.0000000000
|
|
#
|
|
Cl RI_TZ
|
|
20
|
|
1 0 0 1 1
|
|
0.2369816964 1.0000000000
|
|
2 0 0 1 1
|
|
0.4588866535 1.0000000000
|
|
3 0 0 1 1
|
|
0.8765718214 1.0000000000
|
|
4 0 0 1 1
|
|
1.6526648435 1.0000000000
|
|
5 0 0 1 1
|
|
3.0777561452 1.0000000000
|
|
6 0 0 1 1
|
|
5.6951677683 1.0000000000
|
|
7 1 1 1 1
|
|
0.2791066795 1.0000000000
|
|
8 1 1 1 1
|
|
0.5598141556 1.0000000000
|
|
9 1 1 1 1
|
|
1.1760259349 1.0000000000
|
|
10 1 1 1 1
|
|
2.6045605955 1.0000000000
|
|
11 1 1 1 1
|
|
5.6682764394 1.0000000000
|
|
12 2 2 1 1
|
|
0.2875858852 1.0000000000
|
|
13 2 2 1 1
|
|
0.6934629586 1.0000000000
|
|
14 2 2 1 1
|
|
1.2170242613 1.0000000000
|
|
15 2 2 1 1
|
|
2.4519523480 1.0000000000
|
|
16 2 2 1 1
|
|
5.4841052523 1.0000000000
|
|
17 3 3 1 1
|
|
0.6441822848 1.0000000000
|
|
18 3 3 1 1
|
|
1.4212423223 1.0000000000
|
|
19 3 3 1 1
|
|
3.3937331016 1.0000000000
|
|
20 4 4 1 1
|
|
1.1045849476 1.0000000000
|
|
#
|