# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
C     -4.277773    0.287440   -9.516983
C     -5.204193   -0.221617   -8.627958
C     -3.906916   -0.459256  -10.625073
H     -5.502079    0.356817   -7.763993
H     -3.187047   -0.072416  -11.332485
C     -5.767603   -1.491134   -8.807461
C     -4.462327   -1.713065  -10.840404
H     -4.179294   -2.287604  -11.709773
C     -5.385475   -2.213401   -9.940891
H     -3.852664    1.266838   -9.350389
C     -6.717462   -1.925161   -7.787571
N     -7.126473   -3.099392   -7.555829
I     -6.217566   -4.088079  -10.431405
Cu    -8.467923   -3.605922   -6.252614
Cl    -7.193144   -5.271567   -5.458399
Cl    -5.937540   -6.955509   -8.337750
Cu    -6.723945   -4.924897   -7.958996
Cl    -9.487529   -5.422291   -8.221443
Cl   -10.051027   -2.102462   -6.199511
H     -7.089096   -1.115534   -7.156624
B    -10.309427   -4.450545   -9.685088
N     -9.877717   -2.940254   -9.538757
H     -8.883418   -2.800287   -9.696718
H    -10.093822   -2.547986   -8.620168
H    -10.363613   -2.366592  -10.223957
H     -9.871991   -4.894987  -10.709659
H    -11.497619   -4.541461   -9.546518
*
