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QuantumPackage/data/basis/pv6z

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2020-02-04 19:04:36 +01:00
!----------------------------------------------------------------------
! Basis Set Exchange
! Version 2.1.0+44.g1191679.dirty
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: pV6Z
! Description: V6Z5P Valence Sextuple Zeta + Polarization on All
! Atoms
! Role: orbital
! Version: 0 (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------
$DATA
HYDROGEN
S 10
1 1776.77556 0.000044
2 254.017712 0.000372
3 54.6980390 0.002094
4 15.0183440 0.008863
5 4.91507800 0.030540
6 1.79492400 0.090342
7 0.71071600 0.213239
8 0.30480200 0.352350
9 0.13804600 0.339657
10 0.06215700 0.107330
S 1
1 1.79492400 1.0
S 1
1 0.71071600 1.0
S 1
1 0.30480200 1.0
S 1
1 0.13804600 1.0
S 1
1 0.06215700 1.0
P 1
1 4.3950 1.000000
P 1
1 1.9950 1.000000
P 1
1 0.9060 1.000000
P 1
1 0.4110 1.0
P 1
1 0.1866 1.0
D 1
1 4.9740 1.000000
D 1
1 2.2150 1.000000
D 1
1 0.9860 1.000000
D 1
1 0.4390 1.0
F 1
1 3.6650 1.000000
F 1
1 1.6190 1.000000
F 1
1 0.7150 1.0
G 1
1 3.4480 1.0
G 1
1 1.3120 1.0
H 1
1 2.7580 1.0
CARBON
S 11
1 312229.0 0.000006
2 46749.69 0.000044
3 10638.55 0.000232
4 3013.287 0.000979
5 983.0464 0.003550
6 354.8877 0.011439
7 138.4034 0.033002
8 57.36184 0.083996
9 24.92838 0.180684
10 11.22964 0.304989
11 5.201549 0.341288
S 11
1 312229.0 0.000001
2 46749.69 0.000009
3 10638.55 0.000049
4 3013.287 0.000209
5 983.0464 0.000760
6 354.8877 0.002454
7 138.4034 0.007202
8 57.36184 0.018795
9 24.92838 0.043249
10 11.22964 0.082621
11 5.201549 0.128518
S 1
1 2.426564 1.0
S 1
1 0.967344 1.0
S 1
1 0.445599 1.0
S 1
1 0.197122 1.0
S 1
1 0.086347 1.0
P 6
1 478.6415 0.000062
2 113.4184 0.000537
3 36.81623 0.002926
4 13.96492 0.011503
5 5.780787 0.035721
6 2.543594 0.093120
P 1
1 1.173779 1.0
P 1
1 0.553675 1.0
P 1
1 0.262173 1.0
P 1
1 0.123617 1.0
P 1
1 0.056671 1.0
D 1
1 5.5584 1.000000
D 1
1 2.316000 1.000000
D 1
1 0.965000 1.0
D 1
1 0.402083 1.0
D 1
1 0.167535 1.0
F 1
1 2.862909 1.000000
F 1
1 1.192879 1.000000
F 1
1 0.497033 1.0
F 1
1 0.207097 1.0
G 1
1 3.126000 1.000000
G 1
1 1.340000 1.000000
G 1
1 0.558333 1.0
H 1
1 1.905510 1.000000
H 1
1 0.793962 1.0
I 1
1 1.50900 1.0
NITROGEN
S 11
1 432381.1 0.000006
2 64743.42 0.000043
3 14733.70 0.000229
4 4173.254 0.000965
5 1361.477 0.003500
6 491.5049 0.011284
7 191.6857 0.032599
8 79.45499 0.083230
9 34.54968 0.179930
10 15.58673 0.304955
11 7.235444 0.341159
S 11
1 432381.1 0.000001
2 64743.42 0.000010
3 14733.70 0.000050
4 4173.254 0.000213
5 1361.477 0.000775
6 491.5049 0.002504
7 191.6857 0.007362
8 79.45499 0.019286
9 34.54968 0.044699
10 15.58673 0.086048
11 7.235444 0.133249
S 1
1 3.383739 1.0
S 1
1 1.369728 1.0
S 1
1 0.625089 1.0
S 1
1 0.274819 1.0
S 1
1 0.119209 1.0
P 6
1 673.5556 0.000064
2 159.5845 0.000562
3 51.80170 0.003085
4 19.67343 0.012298
5 8.175345 0.038625
6 3.616131 0.099815
P 1
1 1.673414 1.0
P 1
1 0.789246 1.0
P 1
1 0.372339 1.0
P 1
1 0.174038 1.0
P 1
1 0.078681 1.0
D 1
1 7.678080 1.000000
D 1
1 3.199200 1.000000
D 1
1 1.333000 1.0
D 1
1 0.555417 1.0
D 1
1 0.231424 1.0
F 1
1 4.008073 1.000000
F 1
1 1.670030 1.000000
F 1
1 0.695846 1.0
F 1
1 0.289936 1.0
G 1
1 4.063200 1.000000
G 1
1 1.693000 1.000000
G 1
1 0.705417 1.0
H 1
1 2.779253 1.000000
H 1
1 1.158022 1.0
I 1
1 2.22200 1.0
OXYGEN
S 16
1 570979.8 0.000006
2 85496.90 0.000043
3 19456.65 0.000227
4 5511.030 0.000957
5 1797.919 0.003472
6 649.0677 0.011196
7 253.1386 0.032375
8 104.9379 0.082835
9 45.65036 0.179668
10 20.61762 0.305201
11 9.586759 0.340889
12 4.492510 0.177422
13 1.836943 0.020470
14 0.834803 -0.000959
15 0.365722 0.001053
16 0.157034 -0.000096
S 16
1 570979.8 -0.000001
2 85496.90 -0.000010
3 19456.65 -0.000051
4 5511.030 -0.000217
5 1797.919 -0.000791
6 649.0677 -0.002559
7 253.1386 -0.007530
8 104.9379 -0.019782
9 45.65036 -0.046086
10 20.61762 -0.089189
11 9.586759 -0.137550
12 4.492510 -0.105108
13 1.836943 0.144784
14 0.834803 0.441600
15 0.365722 0.444545
16 0.157034 0.128232
S 1
1 4.492510 1.0
S 1
1 1.836943 1.0
S 1
1 0.834803 1.0
S 1
1 0.365722 1.0
S 1
1 0.157034 1.0
P 10
1 525.7638 0.000167
2 124.6306 0.001433
3 40.34300 0.007548
4 15.17831 0.028601
5 6.245039 0.084361
6 2.732624 0.187427
7 1.227200 0.297953
8 0.549190 0.338623
9 0.241776 0.247233
10 0.102505 0.070024
P 1
1 2.732624 1.0
P 1
1 1.227200 1.0
P 1
1 0.549190 1.0
P 1
1 0.241776 1.0
P 1
1 0.102505 1.0
D 1
1 7.7002 1.000000
D 1
1 3.3625 1.000000
D 1
1 1.4684 1.0
D 1
1 0.6412 1.0
D 1
1 0.2800 1.0
F 1
1 6.2537 1.000000
F 1
1 2.7084 1.000000
F 1
1 1.1729 1.0
F 1
1 0.5080 1.0
G 1
1 5.0017 1.000000
G 1
1 2.1158 1.000000
G 1
1 0.8950 1.0
H 1
1 4.0207 1.000000
H 1
1 1.5530 1.0
I 1
1 2.60 1.0
$END
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