%mem=23800MB
%nproc=12
#p B3LYP/GENecp empiricaldispersion=GD3 opt=(maxstep=5) nosymm freq=noraman SCRF(SMD,solv=dichloromethane) gfinput scf=yqc 

Copper nitrenes - Alkynes    --  PROJECT

0 1
 Cu                -0.13627600   -0.67376700    0.51905100
 N                  1.20443200   -0.12060700   -1.05524600
 N                  2.04859900    0.92078800   -0.79505500
 N                  0.20995700    1.10014100    1.57728800
 N                  1.44003600    1.69446100    1.54916200
 N                  2.44954700   -0.78763900    2.30280400
 N                  3.05959600   -0.20886300    1.23219800
 B                  2.57190200    1.15198500    0.64984200
 C                  1.02851800   -0.16130800   -2.37460400
 C                  1.74807800    0.87078400   -3.00624300
 C                  2.37805000    1.53538800   -1.95553100
 C                 -0.51433100    1.75269300    2.48535800
 C                  0.23329300    2.78979200    3.07336400
 C                  1.47266800    2.70855700    2.44601500
 C                  3.11998100   -1.90476500    2.54949700
 C                  4.19308000   -2.08375800    1.65080200
 C                  4.10982300   -0.96543100    0.82557200
 H                  3.46710200    1.93356100    0.60920100
 N                 -2.65401100   -2.46267900    0.24880700
 S                 -3.18647500   -1.11114300   -0.51538500
 O                 -3.84839100   -1.55080800   -1.75142500
 O                 -2.02308600   -0.17624200   -0.65820400
 C                 -4.38426700   -0.20191400    0.45721500
 C                 -4.71621200    1.09164300    0.03924300
 C                 -4.95505200   -0.75980100    1.59565700
 C                 -5.63236500    1.83135600    0.78071500
 H                 -4.25698500    1.51975600   -0.84622700
 C                 -5.86141700    0.00116000    2.33973600
 H                 -4.69513400   -1.76534200    1.90625300
 C                 -6.21616200    1.30008600    1.94701300
 H                 -5.89103600    2.83799000    0.46121800
 H                 -6.30545500   -0.42665100    3.23493800
 C                 -7.19840800    2.12370900    2.74279100
 H                 -7.53407700    1.59974300    3.64002200
 H                 -6.75261500    3.07624100    3.05512300
 H                 -8.08345700    2.36648600    2.13558700
 C                  1.58432100   -3.42550200   -0.14404500
 C                  0.32343300   -3.67608100    0.46757000
 C                 -0.08078100   -5.02146700    0.72133800
 C                  0.75083300   -6.06705300    0.36941800
 C                  1.99140500   -5.79427600   -0.23129100
 C                  2.41270600   -4.48146700   -0.48624200
 H                  1.87872100   -2.39548600   -0.32812100
 H                 -1.04636200   -5.20326200    1.18356000
 H                  0.45409800   -7.09120200    0.54904400
 H                  2.64134900   -6.62047200   -0.50740400
 H                  3.37115900   -4.29184900   -0.95040900
 C                 -0.50548200   -2.62478100    0.85551300
 C                 -1.76383700   -2.27739900    1.30472400
 H                 -1.97638200   -1.77858900    2.31533000
 Br                 5.44855900   -3.48660000    1.57883700
 Br                 5.20216700   -0.50020900   -0.63854600
 Br                -2.29775800    1.28030000    2.85531500
 Br                -0.31840000    4.01373700    4.39410600
 Br                 2.98093800    3.79408600    2.75075600
 Br                -0.03022900   -1.49465100   -3.17704600
 Br                 1.85471500    1.25430700   -4.84711800
 Br                 3.50596900    3.03771100   -2.06082100
 Br                 2.58744900   -3.05578600    3.95647000

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



