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# B3LYP/GEN prop scf=tight
S=SF2 re R. Wellington Davis 1986
0 1
S
S 1 B1
F 1 B2 2 A1
F 1 B3 2 A2 3 D1
B1 1.8543
B2 1.6026
B3 1.6026
A1 108.02
A2 108.02
D1 -97.99135688
1,2,3,4,0
TZV
****
S
D 1 1.00
2.60000000
1.00000000
D 1 1.00
0.650000000 1.00000000
D 1 1.00
0.162500000 1.00000000
F 1 1.00
0.550000000 1.00000000
SP 1 1.00
0.405000000E-01 1.00000000 1.00000000
****
F
D 1 1.00
7.00000000
1.00000000
D 1 1.00
1.75000000
1.00000000
D 1 1.00
0.437500000 1.00000000
F 1 1.00
1.85000000
1.00000000
SP 1 1.00
0.107600000
1.00000000 1.00000000
****
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