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Data: Add cc basis sets

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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
This commit is contained in:
Frederick Stein 2019-10-30 17:54:19 +01:00 • committed by Patrick Seewald
parent 06e370e535
commit 7766285957
1 changed files with 861 additions and 0 deletions
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data/BASIS_RI_cc-TZ
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@ -1,5 +1,16 @@
# 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
@ -17,6 +28,106 @@ H cc-TZ
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
@ -34,6 +145,42 @@ C cc-TZ
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
@ -51,6 +198,42 @@ N cc-TZ
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
@ -68,6 +251,31 @@ O cc-TZ
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
@ -171,6 +379,21 @@ Cl cc-TZ
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
@ -194,6 +417,243 @@ Cl cc-TZ
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
@ -237,6 +697,150 @@ Cl cc-TZ
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
@ -280,6 +884,151 @@ Cl cc-TZ
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
@ -323,6 +1072,118 @@ Cl cc-TZ
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