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

Copper nitrenes -- PROJECT

0 1
   7   -1.43830478   -1.95625918   -0.95600176
   7   -2.72792047   -2.31362769   -1.14693306
   6   -2.79638971   -3.57228716   -1.63292231
   6   -1.50576901   -4.06257806   -1.76844812
   6   -0.69769577   -3.00810010   -1.32617525
   5   -3.88775381   -1.37911191   -0.71857805
   7   -3.71223776   -0.01322489   -1.42864562
   7   -2.58398185    0.71722853   -1.27843147
   6   -2.77284540    1.84848091   -1.96935665
   6   -4.03158648    1.85932310   -2.58255497
   6   -4.59553898    0.64871369   -2.20776300
  29   -1.03625678   -0.07279542   -0.18191484
   7    0.56098825    0.44094447    0.64487025
   6    1.66536893    0.83797846   -0.05235604
   8    2.75417268    0.99959870    0.78262869
   6    3.98120998    1.34862255    0.17586389
   6    4.96548427    0.16638204    0.23027452
  17    4.31932052   -1.23737153   -0.66770058
   6   -1.70555457    2.89058237   -2.03865348
   9   -1.17697335    3.16397890   -0.81184086
   6    0.79068111   -2.96286152   -1.22336912
   9    1.34321214   -2.00544223   -2.01573948
   7   -2.71089668   -0.61484025    1.36109026
   6   -2.93058665   -0.60285516    2.67757911
   6   -4.18293628   -1.15379285    2.99968909
   6   -4.71010187   -1.50589507    1.76757924
   7   -3.81039294   -1.17012560    0.81016045
   6   -1.91837670    0.00580130    3.58400250
   9   -0.64920560   -0.43569654    3.32712973
   9    1.21227912   -2.70482734    0.04748957
   9    1.33315255   -4.15477933   -1.59316653
   9   -0.66702943    2.53138186   -2.83824051
   9   -2.20529634    4.05539234   -2.53470568
   9   -1.86677252    1.36826903    3.47295683
   9   -2.18392027   -0.27239643    4.88662584
   8    1.70194774    1.05137826   -1.25132988
  17    6.50760352    0.71710276   -0.52738838
  17    5.28255877   -0.31243507    1.93589545
   6    0.61676494    3.30374446    1.96530943
   6    1.45518627    4.03061900    0.97005783
   1   -4.45573176    2.63533593   -3.20047647
   1   -5.55693218    0.21307137   -2.43683124
   1   -1.18967862   -5.02941353   -2.12827437
   1   -3.75324974   -4.02601514   -1.84462983
   1   -4.62475010   -1.27733432    3.97659926
   1   -5.64944076   -1.96925029    1.50253520
   1   -4.93884014   -1.86682919   -1.02260808
   1    3.83463647    1.63009720   -0.86908591
   1    4.41910778    2.17807737    0.73589617
   1   -0.43206632    3.13768798    1.73568132
   1    0.74688117    0.32890642    1.64004862
   6    1.12923497    2.99391548    3.32985384
   1    1.33414527    5.12710455    1.04941129
   1    2.52456656    3.82796921    1.11794074
   1    1.19036471    3.76214617   -0.05948773
   1    1.28030049    3.90780499    3.93475919
   1    0.44601915    2.34692627    3.88986584
   1    2.11221130    2.49908452    3.28434977

-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
































































