%nprocshared=20
%mem=60GB
#p opt freq b3lyp/genecp scrf=(smd,solvent=n-Hexane) nosymm
empiricaldispersion=gd3

Copper nitrenes -- PROJECT

0 1
   6   -0.95683314   -1.95812228   -2.28238103
   7   -0.88889535   -1.13917372   -1.20902561
   7    0.16179745   -1.48537757   -0.43294696
   6    0.75073636   -2.53212530   -1.02209882
   6    0.08341615   -2.87245571   -2.20562320
  29    0.49097798   -0.34743300    1.23276944
   7    2.25021209   -0.27389412    1.48767498
   6    3.18058159    0.34485773    0.83143777
   8    4.27653284    0.79673197    1.46127475
   6    5.31033143    1.30926578    0.62391661
   6    6.52952281    0.37090908    0.66209287
  17    7.17420086    0.24426637    2.33373028
   5   -1.85061935    0.01006141   -0.80102112
   7   -1.10624820    1.35875192   -0.81185721
   7   -0.07410944    1.57020248    0.03273998
   6    0.30594906    2.83385029   -0.16523913
   6   -0.47788661    3.45932296   -1.15196443
   6   -1.36990486    2.47438939   -1.53801536
   6    1.43516577    3.42976043    0.60548789
   1   -0.40580514    4.47461481   -1.51157403
   1   -2.17024998    2.48490948   -2.26380749
   6    1.93025236   -3.21444266   -0.40549852
   1    0.31965830   -3.67798428   -2.88327882
   1   -1.74128135   -1.83715691   -3.01498162
   7   -1.46042342   -0.42268720    1.66622161
   7   -2.33998354   -0.27259783    0.65140171
   6   -3.60213695   -0.38975593    1.11811501
   6   -3.55085486   -0.62836502    2.48529600
   6   -2.18107578   -0.64102708    2.77201509
   6   -1.48278230   -0.84236866    4.07516034
   1   -4.37117430   -0.77710349    3.17040752
   1   -4.44442557   -0.29879721    0.44809479
   8    2.90923579    0.44733398   -0.38431556
  17    6.08141447   -1.25590032    0.06832332
  17    7.78851602    1.09021265   -0.41040574
   1   -2.78536437    0.03840661   -1.54891798
   1    4.97305268    1.40767563   -0.40984367
   1    5.59863584    2.28650303    1.01470369
   9   -2.35489395   -1.19580682    5.05145191
   9   -0.53093763   -1.81775613    3.99986894
   9   -0.83780800    0.28443019    4.49374200
   9    1.18893008    4.73929605    0.90164149
   9    1.66187907    2.78467766    1.77934640
   9    2.62049441    3.41928499   -0.07752043
   9    2.09936204   -4.44729926   -0.96233735
   9    3.09802851   -2.54395533   -0.58039435
   9    1.77303637   -3.39151933    0.93459300

-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

































