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

Copper nitrenes -- PROJECT

0 1
   7   -1.38962051   -1.82690055   -0.91981762
   7   -2.68289578   -2.18966704   -1.06413623
   6   -2.76306904   -3.45872895   -1.52184174
   6   -1.47558892   -3.94999610   -1.68457558
   6   -0.65731824   -2.88367168   -1.29169902
   5   -3.82946603   -1.24233154   -0.62320600
   7   -3.67144131    0.10797258   -1.36401353
   7   -2.54095049    0.84207786   -1.25412857
   6   -2.73501180    1.94396901   -1.98982124
   6   -4.00107338    1.93372912   -2.58876667
   6   -4.56273359    0.74055379   -2.15885988
  29   -0.96907977    0.07120993   -0.17081932
   7    0.71374670    0.41739614    0.57947508
   6    1.80287931    0.76351382   -0.16436523
   8    2.95853069    0.73090420    0.59454729
   6    4.16714735    1.07387148   -0.05439558
   6    5.15919832   -0.09814265    0.02889297
  17    4.51226433   -1.53856347   -0.81103941
   6   -1.65983509    2.97107568   -2.11983645
   9   -1.09156938    3.27320395   -0.91690192
   6    0.83279011   -2.82691274   -1.23395142
   9    1.34154477   -1.79553244   -1.95739905
   7   -2.61214465   -0.43785360    1.42791430
   6   -2.80103190   -0.44183722    2.74982813
   6   -4.03724473   -1.01216359    3.09728506
   6   -4.58934709   -1.36182156    1.87622080
   7   -3.71797014   -1.00629709    0.89970260
   6   -1.78242859    0.15971886    3.65378249
   9   -0.50554453   -0.18832168    3.31064136
   9    1.29714513   -2.67411179    0.04033483
   9    1.37864135   -3.97431447   -1.72081266
   9   -0.64837280    2.57605390   -2.93703866
   9   -2.15845124    4.12841741   -2.63342887
   9   -1.81170165    1.52585032    3.65220289
   9   -1.97368198   -0.23121647    4.94199237
   8    1.78382008    1.10187768   -1.33592351
  17    6.69022391    0.43348441   -0.76593133
  17    5.50500715   -0.51471148    1.74531590
   6    0.28516184    3.02507871    1.87958382
   6    1.31323298    3.86265273    1.19942555
   1   -4.43302155    2.68355663   -3.23346946
   1   -5.52801938    0.29863742   -2.35821451
   1   -1.16769982   -4.92316572   -2.03436709
   1   -3.72490408   -3.91815611   -1.69615649
   1   -4.45107501   -1.14669272    4.08495592
   1   -5.52772349   -1.83793727    1.63199403
   1   -4.88875321   -1.73422451   -0.89086344
   1    3.98993509    1.31495366   -1.10475915
   1    4.61199953    1.93098088    0.45831039
   1   -0.70894418    2.92306307    1.45971548
   1    0.95364984    0.16428021    1.53623027
   1    0.47010824    2.57899289    2.85159844
   6    0.80709048    5.31458796    1.02376634
   6    2.65448095    3.82644712    1.94546367
   1    1.46453547    3.46688736    0.18004952
   1    1.54513449    5.91865319    0.48107449
   1   -0.13218473    5.33733912    0.46112191
   1    0.63218334    5.78410507    1.99907440
   1    3.42201738    4.39967100    1.41249051
   1    2.55076910    4.26000738    2.94815440
   1    3.00951059    2.79690713    2.06158262

-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




