10
1
mirror of https://github.com/pfloos/quack synced 2024-11-09 07:33:48 +01:00
QuAcK/examples/basis.SiH4.aug-cc-pvdz

120 lines
4.1 KiB
Plaintext

1 11
S 11
1 78860.0000000 0.270443E-03
2 11820.0000000 0.209717E-02
3 2692.0000000 0.108506E-01
4 763.4000000 0.436754E-01
5 249.6000000 0.137653E+00
6 90.2800000 0.316644E+00
7 35.2900000 0.418581E+00
8 14.5100000 0.210212E+00
9 4.0530000 0.144952E-01
10 1.4820000 -0.203590E-02
11 0.2517000 0.624186E-03
S 11
1 78860.0000000 -0.723177E-04
2 11820.0000000 -0.555116E-03
3 2692.0000000 -0.293805E-02
4 763.4000000 -0.117687E-01
5 249.6000000 -0.402907E-01
6 90.2800000 -0.100609E+00
7 35.2900000 -0.196528E+00
8 14.5100000 -0.102382E+00
9 4.0530000 0.527190E+00
10 1.4820000 0.593251E+00
11 0.2517000 0.332652E-01
S 11
1 78860.0000000 0.185113E-04
2 11820.0000000 0.142236E-03
3 2692.0000000 0.752185E-03
4 763.4000000 0.302279E-02
5 249.6000000 0.103677E-01
6 90.2800000 0.262563E-01
7 35.2900000 0.523989E-01
8 14.5100000 0.290959E-01
9 4.0530000 -0.178003E+00
10 1.4820000 -0.346874E+00
11 0.2517000 0.623020E+00
S 1
1 0.0924300 1.0000000
S 1
1 0.0332000 1.0000000
P 7
1 315.9000000 0.392656E-02
2 74.4200000 0.298811E-01
3 23.4800000 0.127212E+00
4 8.4880000 0.320943E+00
5 3.2170000 0.455429E+00
6 1.2290000 0.268563E+00
7 0.2964000 0.188336E-01
P 7
1 315.9000000 -0.858302E-03
2 74.4200000 -0.630328E-02
3 23.4800000 -0.288255E-01
4 8.4880000 -0.694560E-01
5 3.2170000 -0.119493E+00
6 1.2290000 -0.199581E-01
7 0.2964000 0.510268E+00
P 1
1 0.0876800 1.0000000
P 1
1 0.0250000 1.0000000
D 1
1 0.2750000 1.0000000
D 1
1 0.0823000 1.0000000
2 5
S 3
1 13.0100000 0.0196850
2 1.9620000 0.1379770
3 0.4446000 0.4781480
S 1
1 0.1220000 1.0000000
S 1
1 0.0297400 1.0000000
P 1
1 0.7270000 1.0000000
P 1
1 0.1410000 1.0000000
3 5
S 3
1 13.0100000 0.0196850
2 1.9620000 0.1379770
3 0.4446000 0.4781480
S 1
1 0.1220000 1.0000000
S 1
1 0.0297400 1.0000000
P 1
1 0.7270000 1.0000000
P 1
1 0.1410000 1.0000000
4 5
S 3
1 13.0100000 0.0196850
2 1.9620000 0.1379770
3 0.4446000 0.4781480
S 1
1 0.1220000 1.0000000
S 1
1 0.0297400 1.0000000
P 1
1 0.7270000 1.0000000
P 1
1 0.1410000 1.0000000
5 5
S 3
1 13.0100000 0.0196850
2 1.9620000 0.1379770
3 0.4446000 0.4781480
S 1
1 0.1220000 1.0000000
S 1
1 0.0297400 1.0000000
P 1
1 0.7270000 1.0000000
P 1
1 0.1410000 1.0000000