%chk=TpBrCu_NCMe.chk
%nproc=24
%mem=120GB
#p opt freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=dichloromethane)

Copper nitrenes - Enynes    --  PROJECT

0 3
29      -1.302903000     -0.236136000     -1.171136000
7        0.685453000     -1.138211000     -1.610685000
7        1.748299000     -0.526561000     -1.019274000
7       -0.361290000      1.638083000     -1.232446000
7        0.817899000      1.764142000     -0.552668000
7       -0.728324000     -0.363370000      0.888257000
7        0.565288000     -0.045843000      1.183786000
5        1.506659000      0.522666000      0.092280000
6        1.165417000     -1.905375000     -2.581262000
6        2.568859000     -1.800463000     -2.655668000
6        2.893735000     -0.903662000     -1.638369000
6       -0.677487000      2.849578000     -1.693843000
6        0.295520000      3.793701000     -1.320011000
6        1.226461000      3.052740000     -0.595218000
6       -1.300667000     -0.792739000      2.009700000
6       -0.378403000     -0.762464000      3.074482000
6        0.791973000     -0.270427000      2.500880000
1        2.535022000      0.845126000      0.576162000
7       -2.333252000     -1.927758000     -1.207245000
16      -3.477592000     -1.342157000     -2.252941000
8       -3.934234000     -2.295327000     -3.270916000
8       -2.828186000     -0.054956000     -2.741535000
6       -4.778426000     -0.899728000     -1.137339000
6       -5.603467000     -1.913001000     -0.637467000
6       -4.868098000      0.419125000     -0.676585000
6       -6.538758000     -1.586676000      0.338562000
1       -5.509597000     -2.931780000     -0.994738000
6       -5.820788000      0.724378000      0.288711000
1       -4.201272000      1.179616000     -1.068285000
6       -6.660276000     -0.270962000      0.819129000
1       -7.183210000     -2.365053000      0.736408000
1       -5.909489000      1.745957000      0.646938000
6       -7.644563000      0.058312000      1.909848000
1       -8.009929000      1.085635000      1.822605000
1       -8.500632000     -0.622275000      1.896258000
1       -7.165318000     -0.036092000      2.892967000
35      -3.110711000     -1.292996000      2.058969000
35      -2.231556000      3.164620000     -2.707811000
35       0.005436000     -2.953390000     -3.634275000
35       3.734959000     -2.654306000     -3.861928000
35       4.592481000     -0.262637000     -1.158813000
35       2.423262000      0.103582000      3.360000000
35      -0.664938000     -1.265651000      4.865768000
35       0.335857000      5.634848000     -1.709003000
35       2.805551000      3.676240000      0.215237000

-Cu 0
LANL2DZ
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O S 0
6-31G(d,p)
****

Cu Br 0
LANL2DZ









