9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-07 08:35:57 +02:00
qp2/data/basis/cc-pcv6z
2019-01-25 11:39:31 +01:00

788 lines
24 KiB
Plaintext

ALUMINUM
S 11
1 3652000.0000000 0.0000019
2 546800.0000000 0.0000145
3 124500.0000000 0.0000762
4 35440.0000000 0.0003158
5 11840.0000000 0.0010974
6 4434.0000000 0.0033697
7 1812.0000000 0.0093222
8 791.5000000 0.0237992
9 361.0000000 0.0568191
10 169.5000000 0.1224680
11 81.6800000 0.2238970
S 11
1 3652000.0000000 -0.0000005
2 546800.0000000 -0.0000038
3 124500.0000000 -0.0000198
4 35440.0000000 -0.0000821
5 11840.0000000 -0.0002858
6 4434.0000000 -0.0008785
7 1812.0000000 -0.0024482
8 791.5000000 -0.0063100
9 361.0000000 -0.0154854
10 169.5000000 -0.0349589
11 81.6800000 -0.0707729
S 1
1 40.2800000 1.0000000
S 1
1 20.2500000 1.0000000
S 1
1 10.2300000 1.0000000
S 1
1 4.8020000 1.0000000
S 1
1 2.3390000 1.0000000
S 1
1 1.1630000 1.0000000
S 1
1 0.5882000 1.0000000
S 1
1 0.2311000 1.0000000
S 1
1 0.1027000 1.0000000
S 1
1 0.0452100 1.0000000
P 4
1 2884.0000000 0.0000638
2 683.2000000 0.0005631
3 222.0000000 0.0031691
4 84.8200000 0.0132401
P 1
1 35.8100000 1.0000000
P 1
1 16.2200000 1.0000000
P 1
1 7.7020000 1.0000000
P 1
1 3.7410000 1.0000000
P 1
1 1.8310000 1.0000000
P 1
1 0.8878000 1.0000000
P 1
1 0.3989000 1.0000000
P 1
1 0.1718000 1.0000000
P 1
1 0.0729800 1.0000000
P 1
1 0.0306900 1.0000000
D 1
1 2.2143000 1.0000000
D 1
1 0.9449000 1.0000000
D 1
1 0.4032000 1.0000000
D 1
1 0.1721000 1.0000000
D 1
1 0.0734300 1.0000000
D 1
1 45.6727000 1.0000000
D 1
1 25.6388000 1.0000000
D 1
1 14.3925000 1.0000000
D 1
1 8.0794000 1.0000000
D 1
1 4.5354000 1.0000000
F 1
1 0.8756000 1.0000000
F 1
1 0.4472000 1.0000000
F 1
1 0.2284000 1.0000000
F 1
1 0.1167000 1.0000000
F 1
1 25.3530000 1.0000000
F 1
1 12.3332000 1.0000000
F 1
1 5.9996000 1.0000000
F 1
1 2.9185000 1.0000000
G 1
1 0.6952000 1.0000000
G 1
1 0.3771000 1.0000000
G 1
1 0.2046000 1.0000000
G 1
1 17.2911000 1.0000000
G 1
1 7.8399000 1.0000000
G 1
1 3.5547000 1.0000000
H 1
1 0.6560000 1.0000000
H 1
1 0.3300000 1.0000000
H 1
1 14.1238000 1.0000000
H 1
1 5.8461000 1.0000000
I 1
1 0.5302000 1.0000000
I 1
1 10.0337000 1.0000000
SILICON
S 11
1 4465000.0000000 0.0000017
2 668500.0000000 0.0000136
3 152200.0000000 0.0000714
4 43300.0000000 0.0002973
5 14410.0000000 0.0010383
6 5394.0000000 0.0031747
7 2212.0000000 0.0087324
8 968.1000000 0.0223830
9 441.2000000 0.0537273
10 207.1000000 0.1166490
11 99.8000000 0.2159780
S 11
1 4465000.0000000 -0.0000005
2 668500.0000000 -0.0000036
3 152200.0000000 -0.0000190
4 43300.0000000 -0.0000791
5 14410.0000000 -0.0002769
6 5394.0000000 -0.0008472
7 2212.0000000 -0.0023478
8 968.1000000 -0.0060705
9 441.2000000 -0.0149711
10 207.1000000 -0.0339729
11 99.8000000 -0.0694584
S 1
1 49.2400000 1.0000000
S 1
1 24.7400000 1.0000000
S 1
1 12.4700000 1.0000000
S 1
1 5.7950000 1.0000000
S 1
1 2.8300000 1.0000000
S 1
1 1.4070000 1.0000000
S 1
1 0.6995000 1.0000000
S 1
1 0.3083000 1.0000000
S 1
1 0.1385000 1.0000000
S 1
1 0.0614500 1.0000000
P 4
1 3572.0000000 0.0000599
2 846.0000000 0.0005296
3 274.8000000 0.0029958
4 105.0000000 0.0126335
P 1
1 44.3500000 1.0000000
P 1
1 20.0800000 1.0000000
P 1
1 9.5300000 1.0000000
P 1
1 4.6340000 1.0000000
P 1
1 2.2800000 1.0000000
P 1
1 1.1160000 1.0000000
P 1
1 0.4991000 1.0000000
P 1
1 0.2254000 1.0000000
P 1
1 0.1001000 1.0000000
P 1
1 0.0433200 1.0000000
D 1
1 3.2386000 1.0000000
D 1
1 1.3767000 1.0000000
D 1
1 0.5853000 1.0000000
D 1
1 0.2488000 1.0000000
D 1
1 0.1058000 1.0000000
D 1
1 59.7837000 1.0000000
D 1
1 34.3949000 1.0000000
D 1
1 19.7882000 1.0000000
D 1
1 11.3846000 1.0000000
D 1
1 6.5498000 1.0000000
F 1
1 1.3510000 1.0000000
F 1
1 0.6600000 1.0000000
F 1
1 0.3225000 1.0000000
F 1
1 0.1575000 1.0000000
F 1
1 32.0854000 1.0000000
F 1
1 15.9556000 1.0000000
F 1
1 7.9345000 1.0000000
F 1
1 3.9457000 1.0000000
G 1
1 0.8528000 1.0000000
G 1
1 0.4631000 1.0000000
G 1
1 0.2515000 1.0000000
G 1
1 20.8258000 1.0000000
G 1
1 9.4348000 1.0000000
G 1
1 4.2743000 1.0000000
H 1
1 0.8557000 1.0000000
H 1
1 0.4231000 1.0000000
H 1
1 17.4400000 1.0000000
H 1
1 7.3087000 1.0000000
I 1
1 0.6946000 1.0000000
I 1
1 12.3782000 1.0000000
PHOSPHORUS
S 11
1 5384000.0000000 0.0000016
2 806200.0000000 0.0000128
3 183600.0000000 0.0000672
4 52250.0000000 0.0002797
5 17390.0000000 0.0009767
6 6523.0000000 0.0029684
7 2687.0000000 0.0081240
8 1178.0000000 0.0209200
9 536.2000000 0.0505590
10 251.5000000 0.1104790
11 121.3000000 0.2069570
S 11
1 5384000.0000000 -0.0000004
2 806200.0000000 -0.0000035
3 183600.0000000 -0.0000183
4 52250.0000000 -0.0000759
5 17390.0000000 -0.0002657
6 6523.0000000 -0.0008080
7 2687.0000000 -0.0022273
8 1178.0000000 -0.0057833
9 536.2000000 -0.0143438
10 251.5000000 -0.0327061
11 121.3000000 -0.0673716
S 1
1 59.8800000 1.0000000
S 1
1 30.0500000 1.0000000
S 1
1 15.1200000 1.0000000
S 1
1 7.0100000 1.0000000
S 1
1 3.4410000 1.0000000
S 1
1 1.7120000 1.0000000
S 1
1 0.8337000 1.0000000
S 1
1 0.3912000 1.0000000
S 1
1 0.1777000 1.0000000
S 1
1 0.0793900 1.0000000
P 4
1 4552.0000000 0.0000520
2 1078.0000000 0.0004604
3 350.1000000 0.0026208
4 133.8000000 0.0111873
P 1
1 56.5200000 1.0000000
P 1
1 25.5800000 1.0000000
P 1
1 12.1400000 1.0000000
P 1
1 5.9020000 1.0000000
P 1
1 2.9100000 1.0000000
P 1
1 1.4350000 1.0000000
P 1
1 0.6570000 1.0000000
P 1
1 0.3005000 1.0000000
P 1
1 0.1340000 1.0000000
P 1
1 0.0578300 1.0000000
D 1
1 4.3008000 1.0000000
D 1
1 1.8346000 1.0000000
D 1
1 0.7826000 1.0000000
D 1
1 0.3339000 1.0000000
D 1
1 0.1424000 1.0000000
D 1
1 73.4257000 1.0000000
D 1
1 42.7149000 1.0000000
D 1
1 24.8491000 1.0000000
D 1
1 14.4558000 1.0000000
D 1
1 8.4096000 1.0000000
F 1
1 1.8160000 1.0000000
F 1
1 0.8806000 1.0000000
F 1
1 0.4270000 1.0000000
F 1
1 0.2070000 1.0000000
F 1
1 38.8989000 1.0000000
F 1
1 19.6568000 1.0000000
F 1
1 9.9332000 1.0000000
F 1
1 5.0196000 1.0000000
G 1
1 1.0616000 1.0000000
G 1
1 0.5791000 1.0000000
G 1
1 0.3159000 1.0000000
G 1
1 24.7656000 1.0000000
G 1
1 11.2155000 1.0000000
G 1
1 5.0791000 1.0000000
H 1
1 1.0850000 1.0000000
H 1
1 0.5277000 1.0000000
H 1
1 20.9939000 1.0000000
H 1
1 8.8512000 1.0000000
I 1
1 0.8890000 1.0000000
I 1
1 15.0320000 1.0000000
SULFUR
S 11
1 6297000.0000000 0.0000016
2 943100.0000000 0.0000124
3 214900.0000000 0.0000649
4 61250.0000000 0.0002693
5 20450.0000000 0.0009347
6 7719.0000000 0.0028083
7 3198.0000000 0.0076740
8 1402.0000000 0.0198898
9 637.2000000 0.0482589
10 298.9000000 0.1057570
11 144.3000000 0.2002230
S 11
1 6297000.0000000 -0.0000004
2 943100.0000000 -0.0000034
3 214900.0000000 -0.0000179
4 61250.0000000 -0.0000744
5 20450.0000000 -0.0002587
6 7719.0000000 -0.0007777
7 3198.0000000 -0.0021396
8 1402.0000000 -0.0055906
9 637.2000000 -0.0139076
10 298.9000000 -0.0317689
11 144.3000000 -0.0659302
S 1
1 71.2100000 1.0000000
S 1
1 35.7300000 1.0000000
S 1
1 17.9700000 1.0000000
S 1
1 8.3410000 1.0000000
S 1
1 4.1120000 1.0000000
S 1
1 2.0450000 1.0000000
S 1
1 0.9770000 1.0000000
S 1
1 0.4766000 1.0000000
S 1
1 0.2185000 1.0000000
S 1
1 0.0975900 1.0000000
P 4
1 5266.0000000 0.0000523
2 1247.0000000 0.0004635
3 405.0000000 0.0026410
4 154.8000000 0.0113169
P 1
1 65.3800000 1.0000000
P 1
1 29.5900000 1.0000000
P 1
1 14.0400000 1.0000000
P 1
1 6.8240000 1.0000000
P 1
1 3.3690000 1.0000000
P 1
1 1.6660000 1.0000000
P 1
1 0.7681000 1.0000000
P 1
1 0.3504000 1.0000000
P 1
1 0.1556000 1.0000000
P 1
1 0.0668100 1.0000000
D 1
1 5.0755000 1.0000000
D 1
1 2.1833000 1.0000000
D 1
1 0.9392000 1.0000000
D 1
1 0.4040000 1.0000000
D 1
1 0.1738000 1.0000000
D 1
1 85.0420000 1.0000000
D 1
1 49.7384000 1.0000000
D 1
1 29.0905000 1.0000000
D 1
1 17.0141000 1.0000000
D 1
1 9.9510000 1.0000000
F 1
1 2.2120000 1.0000000
F 1
1 1.0630000 1.0000000
F 1
1 0.5100000 1.0000000
F 1
1 0.2450000 1.0000000
F 1
1 45.8659000 1.0000000
F 1
1 23.2578000 1.0000000
F 1
1 11.7936000 1.0000000
F 1
1 5.9803000 1.0000000
G 1
1 1.3473000 1.0000000
G 1
1 0.7009000 1.0000000
G 1
1 0.3647000 1.0000000
G 1
1 29.0245000 1.0000000
G 1
1 13.1169000 1.0000000
G 1
1 5.9279000 1.0000000
H 1
1 1.2861000 1.0000000
H 1
1 0.6115000 1.0000000
H 1
1 24.7413000 1.0000000
H 1
1 10.4793000 1.0000000
I 1
1 1.0409000 1.0000000
I 1
1 17.9499000 1.0000000
CHLORINE
S 11
1 7733000.0000000 0.0000014
2 1158000.0000000 0.0000111
3 263700.0000000 0.0000586
4 75010.0000000 0.0002445
5 24890.0000000 0.0008583
6 9318.0000000 0.0026102
7 3840.0000000 0.0071378
8 1684.0000000 0.0184564
9 766.3000000 0.0448944
10 359.5000000 0.0993822
11 173.4000000 0.1907820
S 11
1 7733000.0000000 -0.0000004
2 1158000.0000000 -0.0000031
3 263700.0000000 -0.0000164
4 75010.0000000 -0.0000685
5 24890.0000000 -0.0002410
6 9318.0000000 -0.0007335
7 3840.0000000 -0.0020183
8 1684.0000000 -0.0052611
9 766.3000000 -0.0130986
10 359.5000000 -0.0301794
11 173.4000000 -0.0631888
S 1
1 85.6100000 1.0000000
S 1
1 42.9300000 1.0000000
S 1
1 21.5500000 1.0000000
S 1
1 10.0500000 1.0000000
S 1
1 4.9780000 1.0000000
S 1
1 2.4780000 1.0000000
S 1
1 1.1800000 1.0000000
S 1
1 0.5828000 1.0000000
S 1
1 0.2668000 1.0000000
S 1
1 0.1183000 1.0000000
P 4
1 6091.0000000 0.0000516
2 1442.0000000 0.0004585
3 468.3000000 0.0026151
4 179.0000000 0.0112554
P 1
1 75.6100000 1.0000000
P 1
1 34.2200000 1.0000000
P 1
1 16.2300000 1.0000000
P 1
1 7.8900000 1.0000000
P 1
1 3.8980000 1.0000000
P 1
1 1.9330000 1.0000000
P 1
1 0.9057000 1.0000000
P 1
1 0.4140000 1.0000000
P 1
1 0.1836000 1.0000000
P 1
1 0.0785900 1.0000000
D 1
1 6.2428000 1.0000000
D 1
1 2.6906000 1.0000000
D 1
1 1.1596000 1.0000000
D 1
1 0.4998000 1.0000000
D 1
1 0.2154000 1.0000000
D 1
1 101.5340000 1.0000000
D 1
1 59.4799000 1.0000000
D 1
1 34.8440000 1.0000000
D 1
1 20.4120000 1.0000000
D 1
1 11.9576000 1.0000000
F 1
1 2.5327000 1.0000000
F 1
1 1.2406000 1.0000000
F 1
1 0.6077000 1.0000000
F 1
1 0.2977000 1.0000000
F 1
1 52.5155000 1.0000000
F 1
1 26.5151000 1.0000000
F 1
1 13.3874000 1.0000000
F 1
1 6.7593000 1.0000000
G 1
1 1.5388000 1.0000000
G 1
1 0.8050000 1.0000000
G 1
1 0.4212000 1.0000000
G 1
1 32.9291000 1.0000000
G 1
1 14.6315000 1.0000000
G 1
1 6.5013000 1.0000000
H 1
1 1.5613000 1.0000000
H 1
1 0.7397000 1.0000000
H 1
1 29.1168000 1.0000000
H 1
1 12.3898000 1.0000000
I 1
1 1.2572000 1.0000000
I 1
1 21.0502000 1.0000000
ARGON
S 11
1 9149000.0000000 0.0000013
2 1370000.0000000 0.0000104
3 311900.0000000 0.0000549
4 88650.0000000 0.0002296
5 29330.0000000 0.0008103
6 10930.0000000 0.0024853
7 4480.0000000 0.0068369
8 1962.0000000 0.0176199
9 894.1000000 0.0428752
10 419.6000000 0.0954853
11 202.3000000 0.1850640
S 11
1 9149000.0000000 -0.0000004
2 1370000.0000000 -0.0000030
3 311900.0000000 -0.0000156
4 88650.0000000 -0.0000652
5 29330.0000000 -0.0002304
6 10930.0000000 -0.0007075
7 4480.0000000 -0.0019573
8 1962.0000000 -0.0050856
9 894.1000000 -0.0126528
10 419.6000000 -0.0293065
11 202.3000000 -0.0617712
S 1
1 99.8400000 1.0000000
S 1
1 50.0700000 1.0000000
S 1
1 25.1400000 1.0000000
S 1
1 11.8100000 1.0000000
S 1
1 5.8820000 1.0000000
S 1
1 2.9390000 1.0000000
S 1
1 1.4050000 1.0000000
S 1
1 0.6963000 1.0000000
S 1
1 0.3188000 1.0000000
S 1
1 0.1410000 1.0000000
P 4
1 7050.0000000 0.0000502
2 1669.0000000 0.0004454
3 542.1000000 0.0025480
4 207.1000000 0.0110155
P 1
1 87.5200000 1.0000000
P 1
1 39.6100000 1.0000000
P 1
1 18.7800000 1.0000000
P 1
1 9.1300000 1.0000000
P 1
1 4.5160000 1.0000000
P 1
1 2.2450000 1.0000000
P 1
1 1.0650000 1.0000000
P 1
1 0.4885000 1.0000000
P 1
1 0.2166000 1.0000000
P 1
1 0.0925500 1.0000000
D 1
1 7.6327000 1.0000000
D 1
1 3.2876000 1.0000000
D 1
1 1.4160000 1.0000000
D 1
1 0.6099000 1.0000000
D 1
1 0.2627000 1.0000000
D 1
1 110.4290000 1.0000000
D 1
1 62.1231000 1.0000000
D 1
1 34.9483000 1.0000000
D 1
1 19.6606000 1.0000000
D 1
1 11.0604000 1.0000000
F 1
1 3.0582000 1.0000000
F 1
1 1.5292000 1.0000000
F 1
1 0.7647000 1.0000000
F 1
1 0.3824000 1.0000000
F 1
1 61.3518000 1.0000000
F 1
1 31.1445000 1.0000000
F 1
1 15.8101000 1.0000000
F 1
1 8.0258000 1.0000000
G 1
1 1.8450000 1.0000000
G 1
1 0.9657000 1.0000000
G 1
1 0.5055000 1.0000000
G 1
1 37.7753000 1.0000000
G 1
1 16.6961000 1.0000000
G 1
1 7.3794000 1.0000000
H 1
1 1.8743000 1.0000000
H 1
1 0.8871000 1.0000000
H 1
1 33.4560000 1.0000000
H 1
1 14.2454000 1.0000000
I 1
1 1.5066000 1.0000000
I 1
1 24.5369000 1.0000000