srDFT_G2/G09/Small_core/Atoms/cvqz/Li.inp
2019-04-09 14:00:19 +02:00

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#p ROCCSD(T,FreezeInnerNobleGasCore) GEN pop=full gfprint
G2
0,2
Li
Li 0
S 9 1.00
6601.0000000 0.0001170
989.7000000 0.0009110
225.7000000 0.0047280
64.2900000 0.0191970
21.1800000 0.0630470
7.7240000 0.1632080
3.0030000 0.3148270
1.2120000 0.3939360
0.4930000 0.1969180
S 9 1.00
6601.0000000 -0.0000180
989.7000000 -0.0001420
225.7000000 -0.0007410
64.2900000 -0.0030200
21.1800000 -0.0101230
7.7240000 -0.0270940
3.0030000 -0.0573590
1.2120000 -0.0938950
0.4930000 -0.1210910
S 1 1.00
0.0951500 1.0000000
S 1 1.00
0.0479100 1.0000000
S 1 1.00
0.0222000 1.0000000
S 1 1.00
5.6140000 1.0000000
S 1 1.00
1.8600000 1.0000000
S 1 1.00
0.6160000 1.0000000
P 3 1.00
6.2500000 0.0033880
1.3700000 0.0193160
0.3672000 0.0791040
P 1 1.00
0.1192000 1.0000000
P 1 1.00
0.0447400 1.0000000
P 1 1.00
0.0179500 1.0000000
P 1 1.00
9.7850000 1.0000000
P 1 1.00
2.5930000 1.0000000
P 1 1.00
0.6870000 1.0000000
D 1 1.00
0.3440000 1.0000000
D 1 1.00
0.1530000 1.0000000
D 1 1.00
0.0680000 1.0000000
D 1 1.00
10.6020000 1.0000000
D 1 1.00
3.0660000 1.0000000
F 1 1.00
0.2460000 1.0000000
F 1 1.00
0.1292000 1.0000000
F 1 1.00
6.6830000 1.0000000
G 1 1.00
0.2380000 1.0000000
****