%chk=TS12_4Ph_proAz-Int-1_ScNC_2e6_bis-TS-3_bk-C.chk
%nproc=28
%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      -0.824150000     -0.310362000     -1.433049000
7        1.214084000     -0.828858000     -2.063462000
7        2.224467000     -0.355862000     -1.283149000
7       -0.142927000      1.654484000     -1.101424000
7        1.096024000      1.783369000     -0.539411000
7       -0.226021000     -0.697153000      0.591297000
7        1.009444000     -0.244267000      0.950533000
5        1.895662000      0.531828000     -0.062957000
6        1.768905000     -1.510367000     -3.057975000
6        3.173551000     -1.493413000     -2.950000000
6        3.415407000     -0.743721000     -1.801086000
6       -0.607235000      2.885139000     -1.316374000
6        0.331873000      3.849024000     -0.906259000
6        1.398464000      3.097060000     -0.418259000
6       -0.779191000     -1.240999000      1.672559000
6        0.096012000     -1.152374000      2.772536000
6        1.220119000     -0.506925000      2.262396000
1        2.893895000      0.876725000      0.465830000
7       -1.734883000     -2.056336000     -1.715081000
16      -2.787597000     -1.443279000     -2.840535000
8       -2.990141000     -2.277119000     -4.030329000
8       -2.232878000     -0.041435000     -3.055480000
6       -4.284375000     -1.296101000     -1.909275000
6       -5.212056000     -2.342973000     -1.945916000
6       -4.469567000     -0.175226000     -1.089980000
6       -6.352158000     -2.248019000     -1.154752000
1       -5.042500000     -3.203579000     -2.583603000
6       -5.617426000     -0.101173000     -0.309644000
1       -3.729390000      0.617418000     -1.072622000
6       -6.573639000     -1.131920000     -0.328606000
1       -7.084556000     -3.049742000     -1.177434000
1       -5.776070000      0.765231000      0.325957000
6       -7.828045000     -1.025515000      0.496693000
1       -8.603527000     -0.486513000     -0.061947000
1       -8.228952000     -2.011730000      0.745985000
1       -7.650918000     -0.473141000      1.423742000
6       -2.138990000     -5.648324000     -2.216060000
6       -3.371215000     -5.426214000     -1.725019000
1       -3.526035000     -4.914286000     -0.779973000
6       -0.942316000     -5.242923000     -1.569483000
6        0.090670000     -4.883371000     -1.035075000
35      -2.511815000     -1.980908000      1.643001000
35      -2.317929000      3.196205000     -2.042027000
35       0.695664000     -2.338090000     -4.363413000
35       4.432064000     -2.330333000     -4.070772000
35       5.076036000     -0.312446000     -1.031251000
35       2.801810000     -0.063462000      3.177298000
35      -0.172116000     -1.792050000      4.522142000
35       0.182914000      5.723280000     -0.991395000
35       3.017782000      3.735178000      0.295986000
1       -2.024970000     -6.160513000     -3.171191000
6        1.271845000     -4.415976000     -0.392301000
6        1.232337000     -4.001899000      0.955722000
6        2.495869000     -4.354644000     -1.089678000
6        2.387164000     -3.541421000      1.582510000
6        3.643568000     -3.885800000     -0.454579000
6        3.595110000     -3.477548000      0.881301000
1        0.294215000     -4.052713000      1.498469000
1        2.534138000     -4.674585000     -2.125923000
1        2.346741000     -3.233557000      2.622456000
1        4.578675000     -3.838800000     -1.004317000
1        4.492029000     -3.114376000      1.373655000
1       -4.251669000     -5.759078000     -2.266250000

-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









