# B3PW91/6-311+G(df,pd) prop scf=tight

HNSOF2 Cassoux et al 1977

0 1
H
N 1 B1
S 2 B2 1 A1
F 3 B3 2 A2 1 D
F 3 B3 2 A2 1 -D
O 3 B5 2 A4 1 -180.

B1 1.023
B2 1.466
B3 1.549
B5 1.420
A1 115.5
A2 112.9
A4 119.5
D 52.4