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

Copper nitrenes -- PROJECT

0 1
   7           0        1.652069   -0.602181   -0.168925
   7           0        0.432718   -0.978756   -0.599718
   6           0        0.632901   -2.024699   -1.404230
   6           0        1.999781   -2.337822   -1.510933
   6           0        2.614661   -1.398336   -0.699992
  29           0       -1.286355    0.271241    0.157084
   7           0       -2.456602    0.397866   -1.504828
   6           0       -3.500371   -0.132341   -0.899997
   8           0       -4.676472   -0.271036   -1.587838
   6           0       -5.723429   -0.973573   -0.940946
   6           0       -6.100549   -2.212654   -1.772338
  17           0       -6.654302   -1.716436   -3.420703
   6           0       -0.522648   -2.700345   -2.056243
   9           0       -0.171428   -3.937310   -2.510608
   5           0        1.810411    0.570835    0.827602
   7           0        1.291032    1.882002    0.180304
   7           0        0.002266    2.012146   -0.189595
   6           0       -0.117289    3.245207   -0.686619
   6           0        1.109340    3.931715   -0.656742
   6           0        1.982254    3.016723   -0.090329
   6           0       -1.425847    3.732852   -1.204609
   9           0       -1.436476    5.093485   -1.292922
   7           0       -0.365336    0.117481    2.052162
   6           0       -0.757197   -0.108752    3.309651
   6           0        0.331631   -0.104801    4.194288
   6           0        1.420362    0.147790    3.375354
   7           0        0.977560    0.276514    2.101889
   6           0       -2.197373   -0.332221    3.625956
   9           0       -2.387610   -0.382228    4.976468
   8           0       -3.383212   -0.468414    0.304289
  17           0       -4.700169   -3.310876   -1.928081
  17           0       -7.451755   -3.049391   -0.930255
   9           0       -1.701079    3.274510   -2.473184
   9           0       -2.479915    3.367957   -0.434666
   9           0       -2.998735    0.660223    3.147340
   9           0       -2.678826   -1.501637    3.118970
   9           0       -1.581743   -2.859709   -1.220848
   9           0       -1.001154   -2.019577   -3.149503
   6           0       -3.072159    0.594251   -3.993692
   6           0       -1.742789    0.797483   -4.628851
   6           0       -4.111918    1.653902   -4.052294
   1           0        1.314460    4.939247   -0.984726
   1           0        3.033641    3.092468    0.145982
   1           0        0.318307   -0.260627    5.261893
   1           0        2.471440    0.248857    3.603090
   1           0        2.458080   -3.129991   -2.083206
   1           0        3.655840   -1.243216   -0.457243
   1           0        2.966110    0.700306    1.120946
   1           0       -5.420054   -1.296612    0.057095
   1           0       -6.599159   -0.322672   -0.876606
   1           0       -3.422553   -0.433177   -3.909406
   1           0       -2.565161    0.693593   -2.535622
   1           0       -4.528591    1.663070   -5.075959
   1           0       -4.937337    1.446090   -3.367093
   1           0       -3.695967    2.645982   -3.853986
   1           0       -1.861568    0.637717   -5.716294
   1           0       -1.366855    1.814768   -4.483688
   1           0       -1.004984    0.071408   -4.277077

-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





