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

Copper nitrenes - Enynes    --  PROJECT

0 3
29      -1.194446000     -0.261087000     -0.478862000
7        0.743880000     -0.993622000     -1.333452000
7        1.867632000     -0.432553000     -0.805162000
7       -0.383366000      1.677745000     -0.749466000
7        0.911660000      1.862676000     -0.355898000
7       -0.322825000     -0.109287000      1.477876000
7        1.011815000      0.169502000      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      2.854046000     -1.180085000
6        0.168429000      3.837575000     -1.085050000
6        1.260740000      3.156489000     -0.553906000
6       -0.697738000     -0.411520000      2.718239000
6        0.404957000     -0.358706000      3.594575000
6        1.469822000      0.019403000      2.779169000
1        2.818052000      1.083397000      0.544531000
7       -2.453808000     -1.720294000     -0.065618000
16      -3.267292000     -1.606315000     -1.491192000
8       -3.407298000     -2.814564000     -2.317379000
8       -2.563288000     -0.409267000     -2.129150000
6       -4.887438000     -1.056452000     -1.000508000
6       -5.981151000     -1.906010000     -1.162360000
6       -5.017982000      0.191982000     -0.378067000
6       -7.230922000     -1.486568000     -0.705176000
1       -5.853017000     -2.873511000     -1.634192000
6       -6.270365000      0.589635000      0.074112000
1       -4.152529000      0.833789000     -0.254102000
6       -7.395216000     -0.242318000     -0.080569000
1       -8.089818000     -2.139285000     -0.832724000
1       -6.383148000      1.557317000      0.555837000
6       -8.742225000      0.208959000      0.422251000
1       -9.047130000      1.142543000     -0.064990000
1       -9.515088000     -0.541400000      0.235947000
1       -8.709679000      0.406683000      1.500121000
6        0.801132000     -3.367880000      0.975902000
6        1.846265000     -3.853430000      0.268136000
1        1.700570000     -4.473268000     -0.610585000
6       -0.544393000     -3.625574000      0.669474000
6       -1.757456000     -3.767626000      0.472443000
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        0.987892000     -2.766928000      1.864438000
6       -3.016381000     -4.457198000      0.415674000
6       -3.133930000     -5.628316000     -0.355656000
6       -4.135652000     -3.974448000      1.118589000
6       -4.351183000     -6.304225000     -0.415129000
6       -5.347702000     -4.657182000      1.054013000
6       -5.460005000     -5.821972000      0.287426000
1       -2.272252000     -5.992392000     -0.905989000
1       -4.043891000     -3.056643000      1.687190000
1       -4.435745000     -7.205591000     -1.015120000
1       -6.208607000     -4.274298000      1.594102000
1       -6.408174000     -6.349226000      0.234746000
1        2.866525000     -3.645195000      0.573556000

-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









