srDFT_G2/G09/Small_core/Atoms/cvqz/Be.inp

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2019-04-09 14:00:19 +02:00
#p ROCCSD(T,FreezeInnerNobleGasCore) GEN pop=full gfprint
G2
0,1
Be
Be 0
S 9 1.00
14630.0000000 0.0000920
2191.0000000 0.0007130
498.2000000 0.0037350
140.9000000 0.0154680
45.8600000 0.0528740
16.4700000 0.1456940
6.3190000 0.3026810
2.5350000 0.4049360
1.0350000 0.2223870
S 9 1.00
14630.0000000 -0.0000170
2191.0000000 -0.0001300
498.2000000 -0.0006790
140.9000000 -0.0028570
45.8600000 -0.0098130
16.4700000 -0.0286090
6.3190000 -0.0637600
2.5350000 -0.1172310
1.0350000 -0.1212020
S 1 1.00
0.2528000 1.0000000
S 1 1.00
0.1052000 1.0000000
S 1 1.00
0.0426100 1.0000000
S 1 1.00
21.7260000 1.0000000
S 1 1.00
7.8660000 1.0000000
S 1 1.00
2.8480000 1.0000000
P 3 1.00
14.0300000 0.0040990
3.1680000 0.0256260
0.9024000 0.1037680
P 1 1.00
0.3036000 1.0000000
P 1 1.00
0.1130000 1.0000000
P 1 1.00
0.0428600 1.0000000
P 1 1.00
30.8980000 1.0000000
P 1 1.00
10.3650000 1.0000000
P 1 1.00
3.4770000 1.0000000
D 1 1.00
1.0720000 1.0000000
D 1 1.00
0.4410000 1.0000000
D 1 1.00
0.1811000 1.0000000
D 1 1.00
30.3900000 1.0000000
D 1 1.00
6.0920000 1.0000000
F 1 1.00
0.4810000 1.0000000
F 1 1.00
0.2550000 1.0000000
F 1 1.00
12.4820000 1.0000000
G 1 1.00
0.4150000 1.0000000
****