# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 1
B     -4.330447   -0.228882    0.052615
H     -3.178321   -0.259863   -0.294145
H     -4.932248    0.753887   -0.294830
Cl    -5.231428   -1.786151   -0.601828
N     -4.378995   -0.312281    1.639205
H     -3.916230    0.491529    2.057265
H     -5.327852   -0.324252    2.002968
H     -3.912299   -1.138493    2.002929
*
