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

Copper nitrenes -- PROJECT

0 3
  6           0        2.84  -33.333847    2.492437
  7           0        2.95  -32.687482    3.658361
  7           0        4.12  -33.087203    4.198563
  6           0        4.74  -33.973742    3.381648
  6           0        3.94  -34.168174    2.264104
 29           0        1.83  -31.288137    4.711767
  7           0        3.90  -30.172350    4.827488
  7           0        4.89  -30.963455    5.303739
  6           0        6.04  -30.257423    5.473292
  6           0        5.80  -28.950557    5.089405
  6           0        4.45  -28.960633    4.692746
  5           0        4.65  -32.471184    5.521684
  7           0        3.59  -32.689149    6.633742
  7           0        2.31  -32.299728    6.473962
  6           0        1.68  -32.608243    7.613529
  6           0        2.56  -33.202264    8.531210
  6           0        3.77  -33.231583    7.859771
  6           0        0.22  -32.351779    7.768075
  9           0       -0.23  -32.867110    8.938272
  6           0        3.67  -27.804920    4.155805
  9           0        3.34  -26.887788    5.111141
  6           0        1.62  -33.162672    1.652311
  9           0        1.86  -33.495695    0.357855
  7           0        0.50  -30.008193    4.826484
  6           0        0.57  -28.897267    5.620205
  8           0       -0.43  -28.003445    5.345507
  6           0       -0.40  -26.772031    6.045859
  6           0       -1.58  -26.678202    7.029511
 17           0       -3.14  -26.763433    6.148293
  8           0        1.45  -28.690466    6.443165
 17           0       -1.50  -27.999745    8.233317
 17           0       -1.46  -25.084232    7.863061
  9           0       -0.09  -31.030747    7.757999
  9           0       -0.50  -32.927814    6.760946
  9           0        4.41  -27.117245    3.226935
  9           0        2.52  -28.178746    3.549074
  9           0        0.58  -33.947323    2.070775
  9           0        1.15  -31.879896    1.668275
  6           0       -1.98  -30.730055    4.299476
  6           0       -1.73  -32.108691    3.710122
  6           0       -2.81  -30.718262    5.569066
  6           0       -2.38  -29.681568    3.277243
  1           0       -0.83  -30.372155    4.630194
  1           0        6.49  -28.118054    5.081273
  1           0        6.93  -30.737378    5.842904
  1           0        2.33  -33.558965    9.523889
  1           0        4.74  -33.600665    8.163012
  1           0        4.12  -34.806261    1.413053
  1           0        5.69  -34.395859    3.650001
  1           0        5.68  -33.008215    5.836824
  1           0        0.52  -26.664350    6.605873
  1           0       -0.50  -25.964435    5.316565
  1           0       -2.69  -32.549830    3.376917
  1           0       -1.07  -32.057571    2.841016
  1           0       -1.30  -32.789814    4.446762
  1           0       -3.37  -29.934259    2.853124
  1           0       -2.45  -28.689439    3.732623
  1           0       -1.66  -29.634063    2.450439
  1           0       -3.85  -30.974936    5.329923
  1           0       -2.45  -31.447972    6.297685
  1           0       -2.81  -29.728927    6.035816

-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
































































