%nprocshared=20
%mem=120GB
#p freq=projected b3lyp/genecp scrf=(smd,solvent=n-Hexane) nosymm
empiricaldispersion=gd3

Copper nitrenes -- PROJECT

0 1
   6    1.09575405   -0.00810436    3.26281303
   7    0.74830484    0.32817934    2.00190049
   7   -0.59561645    0.26321949    1.85481128
   6   -1.08604389   -0.11573466    3.04297882
   6   -0.05777722   -0.30397895    3.97374118
  29   -1.35771216    0.69658776   -0.01036163
   8   -3.41165510    0.55762716    0.17098985
   6   -3.46367085    0.66755032   -1.09990552
   8   -4.56363228    0.44683619   -1.82105146
   6   -5.74083704    0.01758253   -1.13113219
   6   -5.97364328   -1.49501342   -1.30864471
  17   -6.09520041   -1.91507986   -3.04851534
   5    1.67304204    0.75061803    0.82845197
   7    1.26268518    2.16694701    0.36058910
   7   -0.00436063    2.41342201   -0.03512775
   6   -0.04801269    3.70501576   -0.36954424
   6    1.20402160    4.31639646   -0.19666242
   6    2.01109038    3.29222524    0.27255236
   6   -1.30939268    4.31631585   -0.88210808
   1    1.46765279    5.34743454   -0.37589107
   1    3.05455744    3.28387424    0.55167056
   6   -2.55330567   -0.29498364    3.26151444
   1   -0.15094341   -0.61090691    5.00362331
   1    2.13313537   -0.01209347    3.56294187
   7    0.25096846   -0.45286056   -0.86772299
   7    1.47691348   -0.24625418   -0.33912597
   6    2.40597535   -0.96540529   -1.01096576
   6    1.76695072   -1.66971739   -2.01912279
   6    0.41823861   -1.30895069   -1.88030828
   6   -0.73567246   -1.73583790   -2.72649480
   1    2.19887764   -2.34710739   -2.73951171
   1    3.44649807   -0.92729384   -0.72321445
   7   -2.32701094    1.03454970   -1.67263080
  17   -4.66041680   -2.44093603   -0.55453128
  17   -7.53510257   -1.87258499   -0.48595925
   1    2.81567764    0.74752463    1.18658069
   1   -5.68027152    0.23884944   -0.06435828
   1   -6.57720504    0.55229037   -1.58415788
   9   -0.46934524   -2.92290436   -3.34155250
   9   -1.87463363   -1.90464101   -1.99911246
   9   -1.02829990   -0.84541361   -3.71360375
   9   -2.79839864   -0.65436475    4.55255380
   9   -3.26243553    0.84082807    3.02278384
   9   -3.08519181   -1.26681931    2.46969269
   9   -1.32850232    5.65876472   -0.64036631
   9   -1.46575264    4.16582129   -2.22670986
   9   -2.41712481    3.78304743   -0.29632169

-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

































