%chk=4Ph_TS12_proSulf-TS-F-clean-F-bk.chk
%nproc=24
%mem=120GB
#p opt=CalcFC freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=dichloromethane)

Copper nitrenes - Enynes    --  PROJECT

0 3
29      -1.191967731     -0.253652193     -0.481340269
7        0.741401731     -0.993622000     -1.333452000
7        1.867632000     -0.432553000     -0.805162000
7       -0.380887731      1.680223269     -0.749466000
7        0.911660000      1.865154269     -0.355898000
7       -0.322825000     -0.106808731      1.477876000
7        1.011815000      0.171980269      1.512944000
5        1.743551000      0.693505000      0.244727000
6        1.140821000     -1.882793000     -2.236093000
6        2.547939000     -1.923890000     -2.314749000
6        2.965553000     -0.978454000     -1.381550000
6       -0.834090000      2.856524269     -1.180085000
6        0.168429000      3.837575000     -1.085050000
6        1.260740000      3.156489000     -0.553906000
6       -0.697738000     -0.409041731      2.718239000
6        0.404957000     -0.356227731      3.594575000
6        1.469822000      0.021881269      2.779169000
1        2.818052000      1.083397000      0.544531000
7       -2.483547229     -1.650902466     -0.060661462
16      -3.277205076     -1.584010578     -1.506061614
8       -3.394906655     -2.814564000     -2.300031116
8       -2.565766269     -0.401832193     -2.156410960
6       -4.892394538     -1.049017193     -1.007942807
6       -5.983629269     -1.903531731     -1.164838269
6       -5.022938538      0.199416807     -0.383023538
6       -7.230922000     -1.486568000     -0.705176000
1       -5.853017000     -2.871032731     -1.634192000
6       -6.272843269      0.592113269      0.074112000
1       -4.157485538      0.843702076     -0.261536807
6       -7.397694269     -0.242318000     -0.080569000
1       -8.089818000     -2.141763269     -0.830245731
1       -6.388104538      1.559795269      0.558315269
6       -8.744703269      0.208959000      0.424729269
1       -9.049608269      1.140064731     -0.064990000
1       -9.515088000     -0.543878269      0.238425269
1       -8.709679000      0.406683000      1.500121000
6        0.828392960     -3.353010386      0.970945462
6        1.861134614     -3.853430000      0.273092538
1        1.710483076     -4.503007229     -0.585802309
6       -0.524566847     -3.647878422      0.689300153
6       -1.710368888     -3.921278683      0.541834534
35      -2.495386000     -0.756832000      3.162369000
35      -2.603536000      3.081292000     -1.786908000
35      -0.105095000     -2.929350000     -3.175597000
35       3.619125000     -3.018122000     -3.410669000
35       4.730363000     -0.497646000     -0.935332000
35       3.264892000      0.287432000      3.278429000
35       0.434140000     -0.701659000      5.445903000
35       0.059157000      5.655323000     -1.562286000
35       2.964033000      3.853989000     -0.160519000
1        1.017631229     -2.714884349      1.832220502
6       -3.008946193     -4.501806843      0.428065345
6       -3.148799614     -5.660533498     -0.360612538
6       -4.123260655     -3.991795884      1.121067269
6       -4.375965691     -6.311659807     -0.427520345
6       -5.347702000     -4.652225462      1.046578193
6       -5.477352884     -5.814537193      0.279991193
1       -2.289599884     -6.039479112     -0.901032462
1       -4.011673502     -3.081425691      1.702059614
1       -4.477875574     -7.210547538     -1.029989614
1       -6.203650462     -4.256950116      1.586667193
1       -6.430478422     -6.329399847      0.229789462
1        2.886351153     -3.630325386      0.558686386

-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









