4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
quack/examples/basis.CO.cc-pvqz

99 lines
3.4 KiB
Plaintext

1 15
S 9
1 33980.0000000 0.0000910
2 5089.0000000 0.0007040
3 1157.0000000 0.0036930
4 326.6000000 0.0153600
5 106.1000000 0.0529290
6 38.1100000 0.1470430
7 14.7500000 0.3056310
8 6.0350000 0.3993450
9 2.5300000 0.2170510
S 9
1 33980.0000000 -0.0000190
2 5089.0000000 -0.0001510
3 1157.0000000 -0.0007850
4 326.6000000 -0.0033240
5 106.1000000 -0.0115120
6 38.1100000 -0.0341600
7 14.7500000 -0.0771730
8 6.0350000 -0.1414930
9 2.5300000 -0.1180190
S 1
1 0.7355000 1.0000000
S 1
1 0.2905000 1.0000000
S 1
1 0.1111000 1.0000000
P 3
1 34.5100000 0.0053780
2 7.9150000 0.0361320
3 2.3680000 0.1424930
P 1
1 0.8132000 1.0000000
P 1
1 0.2890000 1.0000000
P 1
1 0.1007000 1.0000000
D 1
1 1.8480000 1.0000000
D 1
1 0.6490000 1.0000000
D 1
1 0.2280000 1.0000000
F 1
1 1.4190000 1.0000000
F 1
1 0.4850000 1.0000000
G 1
1 1.0110000 1.0000000
2 15
S 9
1 61420.0000000 0.0000900
2 9199.0000000 0.0006980
3 2091.0000000 0.0036640
4 590.9000000 0.0152180
5 192.3000000 0.0524230
6 69.3200000 0.1459210
7 26.9700000 0.3052580
8 11.1000000 0.3985080
9 4.6820000 0.2169800
S 9
1 61420.0000000 -0.0000200
2 9199.0000000 -0.0001590
3 2091.0000000 -0.0008290
4 590.9000000 -0.0035080
5 192.3000000 -0.0121560
6 69.3200000 -0.0362610
7 26.9700000 -0.0829920
8 11.1000000 -0.1520900
9 4.6820000 -0.1153310
S 1
1 1.4280000 1.0000000
S 1
1 0.5547000 1.0000000
S 1
1 0.2067000 1.0000000
P 3
1 63.4200000 0.0060440
2 14.6600000 0.0417990
3 4.4590000 0.1611430
P 1
1 1.5310000 1.0000000
P 1
1 0.5302000 1.0000000
P 1
1 0.1750000 1.0000000
D 1
1 3.7750000 1.0000000
D 1
1 1.3000000 1.0000000
D 1
1 0.4440000 1.0000000
F 1
1 2.6660000 1.0000000
F 1
1 0.8590000 1.0000000
G 1
1 1.8460000 1.0000000