# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 1
C     -2.802610    0.195091    0.000101
C     -1.419447    0.188887    0.000635
C     -0.727049    1.404535    0.000095
C     -1.424147    2.617396   -0.000979
C     -2.807363    2.605521   -0.001505
C     -3.496268    1.398973   -0.000968
H     -3.341275   -0.742008    0.000515
H     -0.879775    3.550215   -0.001392
H     -3.349884    3.540392   -0.002336
H     -4.577556    1.397147   -0.001385
C      0.689713    1.406932    0.000663
N      1.850145    1.409132    0.001237
H     -0.870983   -0.741531    0.001460
*
