# sp_wB97M-D3(BJ) 

! wB97M-D3BJ def2-QZVP SlowConv SMD(Acetonitrile)

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 1
B     -4.265558   -0.585102    0.184267
H     -3.257069   -0.243324   -0.363748
H     -5.066016   -1.287244   -0.363913
N     -4.511375   -0.159396    1.478470
H     -3.884475    0.431866    2.001421
H     -5.336518   -0.407148    2.001637
*
