%nprocshared=32
%mem=120GB
#p opt freq b3lyp/genecp scrf=(smd,solvent=n-Hexane) nosymm
empiricaldispersion=gd3

Copper nitrenes -- PROJECT

0 3
   6           0       -0.7   -0.6    3.0
   7           0       -0.3   -0.3    1.8
   7           0        0.8    0.2    1.9
   6           0        1.2    0.3    3.2
   6           0        0.2   -0.2    3.9
  29           0       -1.1   -0.6   -0.0
   8           0       -3.1   -0.0    0.2
   6           0       -3.3   -0.5   -0.9
   8           0       -4.4   -0.3   -1.5
   6           0       -5.4    0.4   -0.9
   6           0       -6.6   -0.4   -0.5
  17           0       -6.1   -1.6    0.7
   5           0        1.6    0.7    0.6
   7           0        0.8    1.8    0.0
   7           0       -0.4    1.6   -0.3
   6           0       -0.9    2.8   -0.7
   6           0        0.0    3.8   -0.6
   6           0        1.1    3.1   -0.1
   6           0       -2.3    3.0   -1.2
   9           0       -2.7    2.0   -2.0
   6           0       -2.0   -1.3    3.2
   9           0       -3.1   -0.4    3.3
   7           0        0.7   -1.1   -0.6
   6           0        1.2   -2.1   -1.4
   6           0        2.6   -2.0   -1.5
   6           0        2.9   -0.9   -0.8
   7           0        1.8   -0.4   -0.2
   6           0        0.3   -3.2   -2.0
   9           0       -0.4   -3.7   -1.1
   7           0       -2.3   -1.2   -1.4
  17           0       -7.8    0.7    0.2
  17           0       -7.4   -1.2   -1.9
   9           0       -3.2    3.0   -0.2
   9           0       -2.4    4.1   -1.9
   9           0       -0.3   -2.7   -3.0
   9           0        1.1   -4.2   -2.5
   9           0       -2.3   -2.2    2.3
   9           0       -2.0   -1.9    4.4
   6           0       -1.5   -0.3   -4.6
   6           0       -0.4    0.3   -3.9
   6           0       -2.9    0.2   -4.8
   1           0       -0.0    4.9   -0.9
   1           0        2.1    3.5    0.1
   1           0        0.1   -0.3    5.0
   1           0        2.1    0.7    3.5
   1           0        3.3   -2.6   -2.1
   1           0        3.8   -0.4   -0.6
   1           0        2.7    1.1    1.0
   1           0       -5.0    0.9   -0.1
   1           0       -5.8    1.1   -1.7
   1           0       -1.3   -1.3   -5.1
   1           0       -2.3   -1.3   -2.4
   1           0       -0.7    0.5   -2.8
   1           0        0.4   -0.2   -3.9
   1           0       -0.3    1.3   -4.3
   1           0       -3.3    0.5   -3.8
   1           0       -2.8    1.1   -5.4
   1           0       -3.6   -0.4   -5.3

-F 0
LANL2DZ
P    1   1.00
      0.2733000              1.0000000
****
-Cu 0
LANL2DZ
****
-Br 0
LANL2DZ
P   1   1.00
      0.0376000              1.0000000
D   1   1.00
      0.4340000              1.0000000
****
-Cl 0
LANL2DZ
P    1   1.00
      0.0467                 1.0
D    1   1.00
      0.6480                 1.0
****
-C -N -H -B -O 0
6-31G(d)
****

-Cu -Br -Cl -F 0
LANL2DZ
































































