%mem=47800MB
%nproc=20
#p B3LYP/GENecp empiricaldispersion=GD3 nosymm opt=(ts,noeigentest,calcfc,maxstep=1) freq=noraman SCRF(SMD,solv=dichloromethane) gfinput scf=yqc 

Copper nitrenes - Alkynes    --  PROJECT

0 1
29           0        1.016935   -0.107722   -0.002755
 7           0       -0.473369    1.089856   -1.150471
 7           0       -1.776511    0.805736   -0.861771
 7           0       -0.035307   -1.820579   -0.668680
 7           0       -1.393154   -1.701296   -0.779180
 7           0       -0.510500   -0.120294    1.756361
 7           0       -1.784436   -0.417925    1.366672
 5           0       -2.152318   -0.508253   -0.135420
 6           0       -0.473702    2.209715   -1.866189
 6           0       -1.784747    2.695398   -2.045638
 6           0       -2.580507    1.764489   -1.385210
 6           0        0.302367   -2.943768   -1.296450
 6           0       -0.828513   -3.582829   -1.839305
 6           0       -1.885341   -2.750531   -1.482697
 6           0       -0.502897   -0.174887    3.084689
 6           0       -1.773066   -0.506662    3.594984
 6           0       -2.557678   -0.655215    2.455283
 1           0       -3.317472   -0.690256   -0.236509
 7           0        2.820171    0.721576    0.282185
16           0        3.918507    0.813550   -1.024045
 8           0        4.351951    2.206504   -1.242001
 8           0        3.275439    0.067666   -2.116098
 6           0        5.333351   -0.120374   -0.449313
 6           0        6.588494    0.483275   -0.387571
 6           0        5.145142   -1.445267   -0.042116
 6           0        7.672218   -0.260241    0.083512
 1           0        6.710604    1.516346   -0.694999
 6           0        6.234984   -2.168056    0.432140
 1           0        4.157281   -1.891403   -0.076876
 6           0        7.515220   -1.590450    0.497954
 1           0        8.654138    0.203179    0.132255
 1           0        6.093398   -3.195260    0.759037
 6           0        8.692558   -2.399252    0.981841
 1           0        9.056378   -3.064047    0.186928
 1           0        9.526213   -1.757101    1.283580
 1           0        8.418212   -3.033703    1.832293
 6           0        0.285164    3.294788    1.266402
 6           0        1.667978    3.491855    1.009872
 6           0        2.125333    4.732516    0.498137
 6           0        1.216709    5.756483    0.270464
 6           0       -0.146366    5.551375    0.523292
 6           0       -0.611019    4.323558    1.015085
 1           0       -0.054818    2.330029    1.625109
 1           0        3.182234    4.861096    0.290507
 1           0        1.560364    6.711556   -0.114459
 1           0       -0.853472    6.353443    0.331939
 1           0       -1.671030    4.175577    1.197526
 6           0        2.570830    2.458655    1.255052
 6           0        3.247240    1.382361    1.485836
 6           0        4.173152    0.864338    2.528117
 1           0        3.939073   -0.184873    2.733499
 1           0        5.210469    0.913323    2.179655
 1           0        4.085201    1.452750    3.445790
35           0        1.064233    0.177808    4.074777
35           0        2.093973   -3.526324   -1.383627
35           0        1.130131    2.948295   -2.514186
35           0       -2.335727    4.248821   -2.959461
35           0       -4.455498    1.782025   -1.187593
35           0       -4.384882   -1.110424    2.374983
35           0       -2.295169   -0.703341    5.395182
35           0       -0.900648   -5.191090   -2.818935
35           0       -3.711590   -2.986134   -1.884386

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



