
&gen
basis=6-31G
dftname=B3LYP
&
entry_name: Scratch
&zmat
B1      0.0109340000000   0.7885400000000   0.0000000000000
H3     -0.5429801591327  -0.1618173561099   0.0000000000000
H4     -0.5429801591327   1.7388973561099   0.0000000000000
O4      1.5109340000000   0.7885399918310  -0.0000000021301
H5      1.7770285785992   1.7081104868123  -0.0000000034506
&
&nbo plot file=borane &
