%nprocshared=20
%mem=40GB
#p wb97xd/genecp scrf=(solvent=dichloromethane) nosymm scf=xqc

prod cat1 H QM

0 1
 O                0  -10.90771700   -3.01465100    6.16942300 H
 C                0   -9.74391700   -3.26823700    5.96412400 H
 O                0   -8.85043800   -2.37637400    5.51184500 H
 C                0   -9.35726200   -1.07448600    5.18673200 H
 H                0   -8.48515000   -0.42011300    5.24554800 H
 H                0  -10.08638700   -0.77718200    5.94426700 H
 C                0   -9.13115900   -4.65443300    6.15568200 H
 C                0   -7.77465500   -4.62250100    6.81346600 H
 C                0   -7.41831000   -4.01180500    8.05265300 H
 C                0   -6.61896800   -5.23291800    6.35778500 H
 C                0   -6.09950400   -4.26583600    8.28379500 H
 C                0   -8.16554000   -3.23773700    9.00564900 L H 9   0.0000
 H                0   -6.44830800   -5.81187100    5.46239100 H
 C                0   -5.43274800   -3.77817300    9.45378200 L H 11   0.0000
 C                0   -7.52977300   -2.78119200   10.10809600 L
 H                0   -9.21432000   -3.02460700    8.84562000 L
 C                0   -6.15610100   -3.05251300   10.33309900 L
 H                0   -4.38448900   -3.98495400    9.62641400 L
 H                0   -8.07936000   -2.19648000   10.83462700 L
 H                0   -5.67982800   -2.67045200   11.22694300 L
 N                0   -5.59697700   -5.01008000    7.25964300 H
 C                0   -9.97223900   -1.06284700    3.79835400 H
 H                0  -10.29098300   -0.04789200    3.53889400 H
 H                0   -9.24651900   -1.40013000    3.05187700 H
 H                0  -10.84565100   -1.71915100    3.76363300 H
 H                0   -9.83912200   -5.16694200    6.81564200 H
 C                0   -9.13721400   -5.38071800    4.81646300 H
 C                0   -8.44071500   -4.87239200    3.71498800 H
 C                0   -9.84264000   -6.57524700    4.67347000 H
 C                0   -8.45061000   -5.54980100    2.50012100 H
 H                0   -7.88901300   -3.94345200    3.81901100 H
 C                0   -9.85269300   -7.25501600    3.45788800 H
 H                0  -10.39009200   -6.97776800    5.52169200 H
 C                0   -9.15652500   -6.74368200    2.36713800 H
 H                0   -7.90606800   -5.14247000    1.65296800 H
 H                0  -10.40767300   -8.18393400    3.36471600 H
 H                0   -9.16467200   -7.27091500    1.41767500 H
 H                0   -4.65538400   -5.34891000    7.16279800 H

-C -N -O -P -H -F -Br -B 0 
6-31g(d)
*****
-Cu 0
lanl2dz 
F  1  1.0
3.525    1.0000
*****

-Cu 0    
lanl2dz 



 
