4
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
quack/examples/basis.HNO.aug-cc-pvtz

112 lines
3.7 KiB
Plaintext

1 9
S 3
1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
S 1
1 0.3258000 1.0000000
S 1
1 0.1027000 1.0000000
S 1
1 0.0252600 1.0000000
P 1
1 1.4070000 1.0000000
P 1
1 0.3880000 1.0000000
P 1
1 0.1020000 1.0000000
D 1
1 1.0570000 1.0000000
D 1
1 0.2470000 1.0000000
2 14
S 8
1 11420.0000000 0.0005230
2 1712.0000000 0.0040450
3 389.3000000 0.0207750
4 110.0000000 0.0807270
5 35.5700000 0.2330740
6 12.5400000 0.4335010
7 4.6440000 0.3474720
8 0.5118000 -0.0085080
S 8
1 11420.0000000 -0.0001150
2 1712.0000000 -0.0008950
3 389.3000000 -0.0046240
4 110.0000000 -0.0185280
5 35.5700000 -0.0573390
6 12.5400000 -0.1320760
7 4.6440000 -0.1725100
8 0.5118000 0.5999440
S 1
1 1.2930000 1.0000000
S 1
1 0.1787000 1.0000000
S 1
1 0.0576000 1.0000000
P 3
1 26.6300000 0.0146700
2 5.9480000 0.0917640
3 1.7420000 0.2986830
P 1
1 0.5550000 1.0000000
P 1
1 0.1725000 1.0000000
P 1
1 0.0491000 1.0000000
D 1
1 1.6540000 1.0000000
D 1
1 0.4690000 1.0000000
D 1
1 0.1510000 1.0000000
F 1
1 1.0930000 1.0000000
F 1
1 0.3640000 1.0000000
3 14
S 8
1 15330.0000000 0.0005080
2 2299.0000000 0.0039290
3 522.4000000 0.0202430
4 147.3000000 0.0791810
5 47.5500000 0.2306870
6 16.7600000 0.4331180
7 6.2070000 0.3502600
8 0.6882000 -0.0081540
S 8
1 15330.0000000 -0.0001150
2 2299.0000000 -0.0008950
3 522.4000000 -0.0046360
4 147.3000000 -0.0187240
5 47.5500000 -0.0584630
6 16.7600000 -0.1364630
7 6.2070000 -0.1757400
8 0.6882000 0.6034180
S 1
1 1.7520000 1.0000000
S 1
1 0.2384000 1.0000000
S 1
1 0.0737600 1.0000000
P 3
1 34.4600000 0.0159280
2 7.7490000 0.0997400
3 2.2800000 0.3104920
P 1
1 0.7156000 1.0000000
P 1
1 0.2140000 1.0000000
P 1
1 0.0597400 1.0000000
D 1
1 2.3140000 1.0000000
D 1
1 0.6450000 1.0000000
D 1
1 0.2140000 1.0000000
F 1
1 1.4280000 1.0000000
F 1
1 0.5000000 1.0000000