4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00
quack/examples/basis.HCl.cc-pvqz

109 lines
4.0 KiB
Plaintext
Raw Normal View History

2020-02-12 12:25:24 +01:00
1 10
S 3
1 82.6400000 0.0020060
2 12.4100000 0.0153430
3 2.8240000 0.0755790
S 1
1 0.7977000 1.0000000
S 1
1 0.2581000 1.0000000
S 1
1 0.0898900 1.0000000
P 1
1 2.2920000 1.0000000
P 1
1 0.8380000 1.0000000
P 1
1 0.2920000 1.0000000
D 1
1 2.0620000 1.0000000
D 1
1 0.6620000 1.0000000
F 1
1 1.3970000 1.0000000
2 17
S 13
1 834900.0000000 0.231688E-04
2 125000.0000000 0.180154E-03
3 28430.0000000 0.947782E-03
4 8033.0000000 0.400139E-02
5 2608.0000000 0.144629E-01
6 933.9000000 0.456586E-01
7 360.0000000 0.123248E+00
8 147.0000000 0.264369E+00
9 62.8800000 0.382989E+00
10 27.6000000 0.270934E+00
11 11.0800000 0.471404E-01
12 5.0750000 -0.371766E-02
13 2.2780000 0.219158E-02
S 13
1 834900.0000000 -0.649649E-05
2 125000.0000000 -0.504895E-04
3 28430.0000000 -0.266113E-03
4 8033.0000000 -0.112499E-02
5 2608.0000000 -0.410497E-02
6 933.9000000 -0.131987E-01
7 360.0000000 -0.375342E-01
8 147.0000000 -0.897233E-01
9 62.8800000 -0.167671E+00
10 27.6000000 -0.174763E+00
11 11.0800000 0.114909E+00
12 5.0750000 0.563618E+00
13 2.2780000 0.441606E+00
S 13
1 834900.0000000 0.196645E-05
2 125000.0000000 0.152620E-04
3 28430.0000000 0.806086E-04
4 8033.0000000 0.339960E-03
5 2608.0000000 0.124551E-02
6 933.9000000 0.399612E-02
7 360.0000000 0.114751E-01
8 147.0000000 0.275504E-01
9 62.8800000 0.532917E-01
10 27.6000000 0.571246E-01
11 11.0800000 -0.395201E-01
12 5.0750000 -0.264343E+00
13 2.2780000 -0.349291E+00
S 1
1 0.7775000 1.0000000
S 1
1 0.3527000 1.0000000
S 1
1 0.1431000 1.0000000
P 8
1 1703.0000000 0.474039E-03
2 403.6000000 0.406412E-02
3 130.3000000 0.213355E-01
4 49.0500000 0.794611E-01
5 20.2600000 0.208927E+00
6 8.7870000 0.364945E+00
7 3.9190000 0.371725E+00
8 1.7650000 0.146292E+00
P 8
1 1703.0000000 -0.128266E-03
2 403.6000000 -0.109356E-02
3 130.3000000 -0.583429E-02
4 49.0500000 -0.219258E-01
5 20.2600000 -0.601385E-01
6 8.7870000 -0.106929E+00
7 3.9190000 -0.122454E+00
8 1.7650000 0.383619E-01
P 1
1 0.7207000 1.0000000
P 1
1 0.2839000 1.0000000
P 1
1 0.1060000 1.0000000
D 1
1 0.2540000 1.0000000
D 1
1 0.6280000 1.0000000
D 1
1 1.5510000 1.0000000
F 1
1 0.4230000 1.0000000
F 1
1 1.0890000 1.0000000
G 1
1 0.8270000 1.0000000