%mem=23800MB
%nproc=8
#p B3LYP/GENecp empiricaldispersion=GD3 opt=calcfc freq=noraman SCRF(SMD,solv=dichloromethane) gfinput scf=yqc 

Copper nitrenes - Alkynes    --  PROJECT

0 1
29           0       -0.948192    0.214678   -1.077413
 7           0        1.072519   -0.784844   -1.248627
 7           0        1.974601   -0.454538   -0.284242
 7           0        0.086953    1.971777   -0.794761
 7           0        1.191397    1.935480    0.015237
 7           0       -0.776572   -0.063085    1.177824
 7           0        0.471049    0.155566    1.681697
 5           0        1.621182    0.635471    0.757376
 6           0        1.675215   -1.637063   -2.066600
 6           0        2.992990   -1.904345   -1.640652
 6           0        3.139327   -1.119289   -0.499074
 6           0       -0.010469    3.215319   -1.262057
 6           0        1.041045    4.018777   -0.781569
 6           0        1.777027    3.159202    0.028562
 6           0       -1.562262   -0.355965    2.207800
 6           0       -0.835765   -0.351636    3.417859
 6           0        0.458237   -0.015564    3.027665
 1           0        2.574839    0.864928    1.419317
 7           0       -2.230702   -1.174864   -1.726428
16           0       -3.530502   -0.865251   -2.707753
 8           0       -3.918954   -2.084234   -3.449597
 8           0       -3.191716    0.358264   -3.454359
 6           0       -4.874478   -0.492173   -1.582097
 6           0       -5.810012   -1.481810   -1.269553
 6           0       -4.904345    0.752703   -0.946902
 6           0       -6.779235   -1.219939   -0.297929
 1           0       -5.779293   -2.438257   -1.781547
 6           0       -5.879436    0.999070    0.014856
 1           0       -4.166713    1.508004   -1.198391
 6           0       -6.828379    0.018520    0.358990
 1           0       -7.510820   -1.986378   -0.053727
 1           0       -5.906971    1.965896    0.512142
 6           0       -7.891348    0.313659    1.388867
 1           0       -7.460078    0.778996    2.284269
 1           0       -8.636061    1.014443    0.988866
 1           0       -8.419200   -0.595518    1.693706
 6           0        0.272825   -3.305895    1.337047
 6           0       -0.166710   -3.671149    0.022004
 6           0        0.559447   -4.677681   -0.699375
 6           0        1.669793   -5.271187   -0.129885
 6           0        2.096719   -4.866428    1.147692
 6           0        1.404175   -3.886334    1.877894
 1           0       -0.277619   -2.548655    1.878120
 1           0        0.219738   -4.955983   -1.690367
 1           0        2.220303   -6.035509   -0.667675
 1           0        2.985547   -5.321033    1.577302
 1           0        1.753745   -3.592992    2.863052
 6           0       -1.218774   -3.022116   -0.566130
 6           0       -2.226077   -2.400696   -1.129242
 1           0       -3.153186   -2.984410   -1.041066
35           0       -1.461422   -0.699341    5.162353
35           0        1.975776    0.181207    4.127557
35           0       -1.422289    3.721648   -2.404157
35           0        1.376740    5.835608   -1.151930
35           0        3.337559    3.569131    1.002187
35           0        0.769161   -2.323413   -3.569583
35           0        4.258774   -3.060080   -2.423027
35           0        4.658916   -0.959965    0.607307
35           0       -3.401813   -0.702254    1.956033

Cu
LANL2DZ
****
Br
LANL2DZ
P   1   1.00
      0.0376000              1.0000000
D   1   1.00
      0.4340000              1.0000000
****
C N H B O S
6-31G(d)
****

Cu
LANL2DZ
Br
LANL2DZ



