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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-13 08:53:38 +01:00
qp2/data/basis/pv6z

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2019-01-25 11:39:31 +01:00
HYDROGEN
S 5
1 1776.7755600 0.0000440
2 254.0177120 0.0003720
3 54.6980390 0.0020940
4 15.0183440 0.0088630
5 4.91507800 0.0305400
S 1
1 1.79492400 1.0000000
S 1
1 0.71071600 1.0000000
S 1
1 0.30480200 1.0000000
S 1
1 0.13804600 1.0000000
S 1
1 0.06215700 1.0000000
P 1
1 4.3950000 1.0000000
P 1
1 1.9950000 1.0000000
P 1
1 0.9060000 1.0000000
P 1
1 0.4110000 1.0000000
P 1
1 0.1866000 1.0000000
D 1
1 4.9740000 1.0000000
D 1
1 2.2150000 1.0000000
D 1
1 0.9860000 1.0000000
D 1
1 0.4390000 1.0000000
F 1
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F 1
1 1.6190000 1.0000000
F 1
1 0.7150000 1.0000000
G 1
1 3.4480000 1.0000000
G 1
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H 1
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CARBON
S 11
1 312229.0000000 0.0000060
2 46749.6900000 0.0000440
3 10638.5500000 0.0002320
4 3013.2870000 0.0009790
5 983.0464000 0.0035500
6 354.8877000 0.0114390
7 138.4034000 0.0330020
8 57.3618400 0.0839960
9 24.9283800 0.1806840
10 11.2296400 0.3049890
11 5.2015490 0.3412880
S 11
1 312229.0000000 0.0000010
2 46749.6900000 0.0000090
3 10638.5500000 0.0000490
4 3013.2870000 0.0002090
5 983.0464000 0.0007600
6 354.8877000 0.0024540
7 138.4034000 0.0072020
8 57.3618400 0.0187950
9 24.9283800 0.0432490
10 11.2296400 0.0826210
11 5.2015490 0.1285180
S 1
1 2.4265640 1.0000000
S 1
1 0.9673440 1.0000000
S 1
1 0.4455990 1.0000000
S 1
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S 1
1 0.0863470 1.0000000
P 6
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2 113.4184000 0.0005370
3 36.8162300 0.0029260
4 13.9649200 0.0115030
5 5.7807870 0.0357210
6 2.5435940 0.0931200
P 1
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P 1
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P 1
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P 1
1 0.1236170 1.0000000
P 1
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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
1 1.3400000 1.0000000
G 1
1 0.5583330 1.0000000
H 1
1 1.9055100 1.0000000
H 1
1 0.7939620 1.0000000
I 1
1 1.5090000 1.0000000
NITROGEN
S 11
1 432381.1000000 0.0000060
2 64743.4200000 0.0000430
3 14733.7000000 0.0002290
4 4173.2540000 0.0009650
5 1361.4770000 0.0035000
6 491.5049000 0.0112840
7 191.6857000 0.0325990
8 79.4549900 0.0832300
9 34.5496800 0.1799300
10 15.5867300 0.3049550
11 7.2354440 0.3411590
S 11
1 432381.1000000 0.0000010
2 64743.4200000 0.0000100
3 14733.7000000 0.0000500
4 4173.2540000 0.0002130
5 1361.4770000 0.0007750
6 491.5049000 0.0025040
7 191.6857000 0.0073620
8 79.4549900 0.0192860
9 34.5496800 0.0446990
10 15.5867300 0.0860480
11 7.2354440 0.1332490
S 1
1 3.3837390 1.0000000
S 1
1 1.3697280 1.0000000
S 1
1 0.6250890 1.0000000
S 1
1 0.2748190 1.0000000
S 1
1 0.1192090 1.0000000
P 6
1 673.5556000 0.0000640
2 159.5845000 0.0005620
3 51.8017000 0.0030850
4 19.6734300 0.0122980
5 8.1753450 0.0386250
6 3.6161310 0.0998150
P 1
1 1.6734140 1.0000000
P 1
1 0.7892460 1.0000000
P 1
1 0.3723390 1.0000000
P 1
1 0.1740380 1.0000000
P 1
1 0.0786810 1.0000000
D 1
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D 1
1 3.1992000 1.0000000
D 1
1 1.3330000 1.0000000
D 1
1 0.5554170 1.0000000
D 1
1 0.2314240 1.0000000
F 1
1 4.0080730 1.0000000
F 1
1 1.6700300 1.0000000
F 1
1 0.6958460 1.0000000
F 1
1 0.2899360 1.0000000
G 1
1 4.0632000 1.0000000
G 1
1 1.6930000 1.0000000
G 1
1 0.7054170 1.0000000
H 1
1 2.7792530 1.0000000
H 1
1 1.1580220 1.0000000
I 1
1 2.2220000 1.0000000
OXYGEN
S 11
1 570979.8000000 0.0000060
2 85496.9000000 0.0000430
3 19456.6500000 0.0002270
4 5511.0300000 0.0009570
5 1797.9190000 0.0034720
6 649.0677000 0.0111960
7 253.1386000 0.0323750
8 104.9379000 0.0828350
9 45.6503600 0.1796680
10 20.6176200 0.3052010
11 9.5867590 0.3408890
S 11
1 570979.8000000 -0.0000010
2 85496.9000000 -0.0000100
3 19456.6500000 -0.0000510
4 5511.0300000 -0.0002170
5 1797.9190000 -0.0007910
6 649.0677000 -0.0025590
7 253.1386000 -0.0075300
8 104.9379000 -0.0197820
9 45.6503600 -0.0460860
10 20.6176200 -0.0891890
11 9.5867590 -0.1375500
S 1
1 4.4925100 1.0000000
S 1
1 1.8369430 1.0000000
S 1
1 0.8348030 1.0000000
S 1
1 0.3657220 1.0000000
S 1
1 0.1570340 1.0000000
P 5
1 525.7638000 0.0001670
2 124.6306000 0.0014330
3 40.3430000 0.0075480
4 15.1783100 0.0286010
5 6.2450390 0.0843610
P 1
1 2.7326240 1.0000000
P 1
1 1.2272000 1.0000000
P 1
1 0.5491900 1.0000000
P 1
1 0.2417760 1.0000000
P 1
1 0.1025050 1.0000000
D 1
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D 1
1 3.3625000 1.0000000
D 1
1 1.4684000 1.0000000
D 1
1 0.6412000 1.0000000
D 1
1 0.2800000 1.0000000
F 1
1 6.2537000 1.0000000
F 1
1 2.7084000 1.0000000
F 1
1 1.1729000 1.0000000
F 1
1 0.5080000 1.0000000
G 1
1 5.0017000 1.0000000
G 1
1 2.1158000 1.0000000
G 1
1 0.8950000 1.0000000
H 1
1 4.0207000 1.0000000
H 1
1 1.5530000 1.0000000
I 1
1 2.6000000 1.0000000