%chk=TS12_1Ph_proSulf-Int-1_Frozen-FreeC-clean_ScanNC-TS2e3-Free_ScNC-TS-F-clean-F-bk-C-F-C-F-C-F-C3.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      -0.529643000     -0.714187000     -1.748878000
7        1.346699000     -1.361603000     -2.452621000
7        2.452580000     -0.828578000     -1.858001000
7        0.335089000      1.323494000     -1.858561000
7        1.569908000      1.473179000     -1.303936000
7        0.159701000     -0.698040000      0.232233000
7        1.466855000     -0.355567000      0.429404000
5        2.309411000      0.233341000     -0.733177000
6        1.769575000     -2.171520000     -3.422349000
6        3.177396000     -2.191631000     -3.469632000
6        3.565050000     -1.313138000     -2.458900000
6       -0.088665000      2.531139000     -2.209899000
6        0.873292000      3.510668000     -1.891482000
6        1.912755000      2.784448000     -1.312936000
6       -0.333123000     -1.073750000      1.410482000
6        0.655865000     -0.988463000      2.408867000
6        1.783823000     -0.523027000      1.735685000
1        3.378847000      0.542835000     -0.338207000
7       -2.194403000     -1.025423000     -2.400050000
16      -3.785820000     -1.253658000     -2.808221000
8       -3.891541000     -2.568188000     -3.466396000
8       -4.218476000     -0.045087000     -3.527523000
6       -4.574290000     -1.321529000     -1.221998000
6       -4.779523000     -2.561452000     -0.610377000
6       -4.915638000     -0.122133000     -0.582985000
6       -5.347375000     -2.594166000      0.661241000
1       -4.499993000     -3.477851000     -1.117228000
6       -5.479564000     -0.177931000      0.685453000
1       -4.746055000      0.829424000     -1.075423000
6       -5.703079000     -1.409667000      1.328128000
1       -5.517519000     -3.552052000      1.144192000
1       -5.750815000      0.744626000      1.190727000
6       -6.330620000     -1.450226000      2.696297000
1       -5.910408000     -0.676578000      3.347188000
1       -7.409424000     -1.262227000      2.626492000
1       -6.191250000     -2.423590000      3.174190000
6        0.366403000     -4.081293000      0.160328000
6        1.670636000     -3.886900000     -0.145874000
1        1.929286000     -3.736542000     -1.190698000
6       -0.658873000     -4.061088000     -0.817309000
6       -1.542987000     -4.019014000     -1.649761000
35      -2.127028000     -1.607548000      1.590112000
35      -1.782459000      2.746233000     -3.008893000
35       0.566775000     -3.101308000     -4.531948000
35       4.286795000     -3.178604000     -4.626325000
35       5.313520000     -0.821647000     -1.973018000
35       3.481171000     -0.159705000      2.450460000
35       0.492001000     -1.407869000      4.235957000
35       0.778929000      5.369320000     -2.180008000
35       3.542893000      3.437630000     -0.634260000
1        0.053728000     -4.247866000      1.188822000
1       -2.304333000     -3.981050000     -2.398327000
6        2.798425000     -3.858138000      0.782857000
6        2.655038000     -3.955888000      2.182133000
6        4.096119000     -3.719356000      0.253706000
6        3.770629000     -3.926942000      3.012473000
6        5.213202000     -3.689129000      1.086917000
6        5.054851000     -3.795425000      2.470324000
1        1.667916000     -4.051241000      2.622373000
1        4.221443000     -3.643370000     -0.822763000
1        3.640348000     -4.003177000      4.088194000
1        6.205092000     -3.585672000      0.656237000
1        5.922675000     -3.774944000      3.123352000

-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









