130 lines
4.6 KiB
Plaintext
130 lines
4.6 KiB
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) GEN pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,2
|
|
Na
|
|
|
|
Na 0
|
|
S 16 1.00
|
|
1224000.0000000 0.478894D-05
|
|
183200.0000000 0.372395D-04
|
|
41700.0000000 0.195831D-03
|
|
11810.0000000 0.826698D-03
|
|
3853.0000000 0.300251D-02
|
|
1391.0000000 0.970310D-02
|
|
542.5000000 0.282337D-01
|
|
224.9000000 0.732058D-01
|
|
97.9300000 0.162897D+00
|
|
44.3100000 0.288708D+00
|
|
20.6500000 0.346829D+00
|
|
9.7290000 0.206865D+00
|
|
4.2280000 0.328009D-01
|
|
1.9690000 -0.647736D-03
|
|
0.8890000 0.145878D-02
|
|
0.3964000 -0.178346D-03
|
|
S 16 1.00
|
|
1224000.0000000 -0.116958D-05
|
|
183200.0000000 -0.909110D-05
|
|
41700.0000000 -0.478499D-04
|
|
11810.0000000 -0.201962D-03
|
|
3853.0000000 -0.735837D-03
|
|
1391.0000000 -0.238746D-02
|
|
542.5000000 -0.704969D-02
|
|
224.9000000 -0.187856D-01
|
|
97.9300000 -0.446153D-01
|
|
44.3100000 -0.897741D-01
|
|
20.6500000 -0.142940D+00
|
|
9.7290000 -0.124315D+00
|
|
4.2280000 0.999648D-01
|
|
1.9690000 0.417080D+00
|
|
0.8890000 0.475123D+00
|
|
0.3964000 0.163268D+00
|
|
S 16 1.00
|
|
1224000.0000000 0.175871D-06
|
|
183200.0000000 0.136594D-05
|
|
41700.0000000 0.719795D-05
|
|
11810.0000000 0.303349D-04
|
|
3853.0000000 0.110752D-03
|
|
1391.0000000 0.358596D-03
|
|
542.5000000 0.106272D-02
|
|
224.9000000 0.282687D-02
|
|
97.9300000 0.676742D-02
|
|
44.3100000 0.136480D-01
|
|
20.6500000 0.222814D-01
|
|
9.7290000 0.196011D-01
|
|
4.2280000 -0.167708D-01
|
|
1.9690000 -0.773734D-01
|
|
0.8890000 -0.113501D+00
|
|
0.3964000 -0.139130D+00
|
|
S 1 1.00
|
|
0.0699300 1.0000000
|
|
S 1 1.00
|
|
0.0328900 1.0000000
|
|
S 1 1.00
|
|
0.0161200 1.0000000
|
|
S 1 1.00
|
|
24.2820000 1.0000000
|
|
S 1 1.00
|
|
4.8740000 1.0000000
|
|
S 1 1.00
|
|
0.9780000 1.0000000
|
|
P 9 1.00
|
|
413.4000000 0.908196D-03
|
|
97.9800000 0.741773D-02
|
|
31.3700000 0.357464D-01
|
|
11.6200000 0.118520D+00
|
|
4.6710000 0.261403D+00
|
|
1.9180000 0.378395D+00
|
|
0.7775000 0.334632D+00
|
|
0.3013000 0.126844D+00
|
|
0.2275000 -0.147117D-01
|
|
P 9 1.00
|
|
413.4000000 -0.901741D-04
|
|
97.9800000 -0.739342D-03
|
|
31.3700000 -0.357309D-02
|
|
11.6200000 -0.120142D-01
|
|
4.6710000 -0.267178D-01
|
|
1.9180000 -0.392753D-01
|
|
0.7775000 -0.376083D-01
|
|
0.3013000 -0.433228D-01
|
|
0.2275000 0.518003D-01
|
|
P 1 1.00
|
|
0.0752700 1.0000000
|
|
P 1 1.00
|
|
0.0312600 1.0000000
|
|
P 1 1.00
|
|
0.0134200 1.0000000
|
|
P 1 1.00
|
|
4.4660000 1.0000000
|
|
P 1 1.00
|
|
1.6890000 1.0000000
|
|
P 1 1.00
|
|
0.6380000 1.0000000
|
|
D 1 1.00
|
|
0.1538000 1.0000000
|
|
D 1 1.00
|
|
0.0865000 1.0000000
|
|
D 1 1.00
|
|
0.0487000 1.0000000
|
|
D 1 1.00
|
|
8.6060000 1.0000000
|
|
D 1 1.00
|
|
3.1370000 1.0000000
|
|
D 1 1.00
|
|
1.1440000 1.0000000
|
|
F 1 1.00
|
|
0.1912000 1.0000000
|
|
F 1 1.00
|
|
0.1036000 1.0000000
|
|
F 1 1.00
|
|
6.2580000 1.0000000
|
|
F 1 1.00
|
|
2.1730000 1.0000000
|
|
G 1 1.00
|
|
0.1722000 1.0000000
|
|
G 1 1.00
|
|
4.0970000 1.0000000
|
|
****
|
|
|