%chk=TS12_1Ph_proAz-TS-F-bk.chk
%nproc=36
%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      -1.341257713     -0.299694566     -0.696004287
7        0.699261713     -0.986101713     -1.353153000
7        1.746960000     -0.472055000     -0.650199000
7       -0.484496713      1.624071287     -0.593730287
7        0.721402287      1.729172287      0.043027000
7       -0.749874000     -0.422454713      1.374807000
7        0.584286000     -0.255942713      1.597667000
5        1.474532000      0.465023000      0.547409000
6        1.217074000     -1.755481000     -2.306658000
6        2.625175000     -1.757172000     -2.245528000
6        2.913277713     -0.917443000     -1.173195000
6       -0.885003713      2.861337287     -0.877299000
6        0.060213000      3.806391287     -0.441452000
6        1.063820000      3.035476287      0.139279000
6       -1.270593000     -0.958871000      2.476056000
6       -0.269804000     -1.180374000      3.441556000
6        0.894915000     -0.716894000      2.833381000
1        2.496448000      0.784723000      1.048556000
7       -2.674653868     -1.710895537     -0.649497566
16      -3.293977860     -1.424321846     -2.150888721
8       -3.280329566     -2.524353574     -3.127336419
8       -2.534878287     -0.158265279     -2.523019441
6       -4.969912574     -0.982444853     -1.776594574
6       -5.992422000     -1.902315713     -2.020158000
6       -5.215579574      0.239307147     -1.137923287
6       -7.287837713     -1.571142000     -1.640409000
1       -5.770166426     -2.853977713     -2.489016713
6       -6.516782287      0.546294287     -0.765240000
1       -4.398640574      0.926698434     -0.942313574
6       -7.572658000     -0.348058000     -1.011739000
1       -8.093821713     -2.277450287     -1.825775713
1       -6.721186574      1.494231287     -0.271443713
6       -8.985161000      0.010415713     -0.630963000
1       -9.484805000      0.527908713     -1.459925000
1       -9.576696000     -0.879991287     -0.398120000
1       -9.010423287      0.680563713      0.233500000
6       -1.378932426     -4.012103875      0.644283860
6       -2.122999412     -4.167448926     -0.479262559
1       -1.634159419     -4.045491036     -1.445566419
6        0.003959434     -3.713560147      0.643203574
6        1.195047574     -3.489952140      0.688318574
35      -3.123828000     -1.242442000      2.647761000
35      -2.532862000      3.205648000     -1.727937000
35       0.103270000     -2.674303000     -3.511701000
35       3.835849000     -2.682360000     -3.352376000
35       4.612412000     -0.418221000     -0.522624000
35       2.639769000     -0.707817000      3.537534000
35      -0.457230000     -1.932965000      5.156949000
35      -0.010278000      5.678041000     -0.604388000
35       2.657071000      3.640968000      0.935816000
1       -1.837345140     -4.147126853      1.623833294
6       -3.535689566     -4.543296022     -0.514388853
6       -4.406601426     -4.354923581      0.577522287
6       -4.040236574     -5.145422868     -1.680479713
6       -5.727161574     -4.794047426      0.515974713
6       -5.359062721     -5.594326426     -1.738546574
6       -6.205091434     -5.426927853     -0.637323287
1       -4.045574279     -3.851688728      1.468293574
1       -3.386359287     -5.264007588     -2.539551426
1       -6.386032574     -4.639211706      1.365631426
1       -5.726325581     -6.075379279     -2.640603860
1       -7.233384007     -5.773761132     -0.682890574
1        2.247153287     -3.312397706      0.701000574

-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









