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

Copper nitrenes -- PROJECT

0 1
  7           0        1.7    0.031913    1.522988
  7           0        3.0    0.018100    1.710951
  6           0        3.3   -0.211620    3.015447
  6           0        2.1   -0.354683    3.711574
  6           0        1.1   -0.200030    2.718894
  5           0        4.0    0.090951    0.502895
  7           0        3.8    1.415082   -0.261930
  7           0        2.5    1.835341   -0.663095
  6           0        2.7    3.071914   -1.142305
  6           0        4.1    3.460606   -1.070617
  6           0        4.7    2.368057   -0.497540
 29           0        0.9    0.375656   -0.426654
  7           0       -0.8   -0.045556   -1.401479
  6           0       -1.9    0.552005   -0.709245
  8           0       -2.9   -0.323813   -0.665415
  6           0       -4.2    0.178098   -0.247204
  6           0       -4.8   -0.655932    0.901771
 17           0       -3.9   -0.440858    2.403012
  6           0        1.6    3.946856   -1.525956
  9           0        0.5    3.264675   -1.952393
  6           0       -0.2   -0.266018    2.824316
  9           0       -0.8    0.960058    2.771193
  7           0        2.5   -1.402338   -0.903243
  6           0        2.6   -2.654229   -1.368753
  6           0        3.9   -3.219608   -1.178060
  6           0        4.6   -2.215901   -0.539867
  7           0        3.7   -1.146588   -0.390082
  6           0        1.4   -3.314499   -1.980056
  9           0        0.2   -2.894271   -1.425018
  9           0       -0.8   -0.996672    1.803335
  9           0       -0.6   -0.845269    3.990918
  9           0        1.2    4.727784   -0.487059
  9           0        1.9    4.808269   -2.526309
  9           0        1.3   -3.092627   -3.327905
  9           0        1.4   -4.664087   -1.827834
  8           0       -1.9    1.677808   -0.288133
 17           0       -6.5   -0.058553    1.159674
 17           0       -4.8   -2.395536    0.459118
  6           0       -0.9    0.141847   -2.945633
  6           0        0.4    0.200107   -3.489599
  1           0        4.5    4.398947   -1.378395
  1           0        5.7    2.200832   -0.232791
  1           0        2.0   -0.548755    4.763474
  1           0        4.3   -0.264068    3.349643
  1           0        4.2   -4.207661   -1.453140
  1           0        5.6   -2.185462   -0.172381
  1           0        5.1    0.054512    0.901405
  1           0       -4.1    1.218420    0.073290
  1           0       -4.9    0.093130   -1.101670
  1           0       -0.8   -1.053601   -1.242623
  6           0       -1.6    1.427919   -3.288696
  6           0       -1.6   -1.072174   -3.518335
  1           0        0.4    0.308398   -4.580052
  1           0        1.0    1.043846   -3.071505
  1           0        1.0   -0.712346   -3.255095
  1           0       -1.7   -0.983799   -4.607749
  1           0       -1.1   -2.006730   -3.296733
  1           0       -2.7   -1.136211   -3.113449
  1           0       -1.7    1.543759   -4.377510
  1           0       -2.7    1.389267   -2.963246
  1           0       -1.2    2.307521   -2.853565

-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




