%chk=/home/gsciortino/ENINES-REV/C2-Attack/TS12_1Ph_proAz-C2-ROT_Scan-ROT2-Scan-TS-bk.chk
%nproc=32
%mem=120GB
#p opt=(CalcFC) freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRFDef=AsymmetricIEFPCM SCRF=(SMD,solvent=dichloromethane)

Copper nitrenes - Enynes    --  PROJECT

0 3
29      -1.423646456     -0.608835281     -0.930040544
7        0.573844456     -1.210636456     -1.632713000
7        1.615154000     -0.908606000     -0.804480000
7       -0.512679456      1.236853544     -0.516184000
7        0.662413544      1.203729544      0.179199000
7       -0.935013000     -1.033345456      1.171404544
7        0.399212000     -0.963974456      1.441205000
5        1.348996000     -0.153082000      0.516883000
6        1.098300000     -1.709247000     -2.749672000
6        2.505152000     -1.747323000     -2.668970000
6        2.785862000     -1.224596000     -1.410310000
6       -0.844023456      2.516660544     -0.667688000
6        0.117308544      3.354358544     -0.071658000
6        1.053710000      2.469920544      0.454243000
6       -1.513130000     -1.667403000      2.188236000
6       -0.551071000     -2.049670000      3.145199000
6        0.651686000     -1.576060000      2.624284000
1        2.369551000      0.046781000      1.078923000
7       -2.821215175     -1.928800950     -1.057752369
16      -3.424141087     -1.478647563     -2.519885719
8       -3.456576825     -2.487516544     -3.590981281
8       -2.605885544     -0.220164194     -2.771164981
6       -5.085611544     -0.978653825     -2.134595544
6       -6.162327000     -1.713080456     -2.633972000
6       -5.276379544      0.101951631     -1.268336544
6       -7.454396000     -1.340871000     -2.267454000
1       -5.986209456     -2.554861456     -3.294864000
6       -6.572697544      0.453517544     -0.909269000
1       -4.426584087      0.655535719     -0.884457087
6       -7.679059000     -0.259775000     -1.401935000
1       -8.299070456     -1.901915544     -2.653455456
1       -6.732843087      1.291807544     -0.233537456
6       -9.078459000      0.148901456     -1.023056000
1       -9.414663000      0.987141456     -1.646524000
1       -9.789344000     -0.670721544     -1.160627000
1       -9.127266000      0.483351000      0.018790000
6       -2.635372913     -4.342262975     -0.749621844
6       -1.633228087     -4.617426244     -1.631988281
1       -1.911666913     -4.933704262     -2.633735000
6       -4.011630631     -4.549550050     -1.035861913
6       -5.192661894     -4.757772369     -1.227978631
35      -3.381964000     -1.902060000      2.281276000
35      -2.418162000      3.024027000     -1.568730000
35       0.001115000     -2.232246000     -4.182103000
35       3.723608000     -2.375276000     -3.957517000
35       4.471814000     -0.994264000     -0.606297000
35       2.372814000     -1.728917000      3.369808000
35      -0.823430000     -2.974295000      4.762325000
35       0.130293000      5.235433544     -0.002384000
35       2.627312000      2.891401000      1.395357000
1       -2.407876544     -4.042179381      0.269328437
6       -0.210463369     -4.607301175     -1.333614456
6        0.329443544     -4.083283087     -0.140764544
6        0.670790087     -5.184550000     -2.271274000
6        1.697082087     -4.147851456      0.105115456
6        2.038373631     -5.258757456     -2.017028000
6        2.555891087     -4.740163456     -0.826976000
1       -0.317846000     -3.608341544      0.587282913
1        0.270787631     -5.585606544     -3.197922000
1        2.097695544     -3.734556913      1.025211456
1        2.699290631     -5.713261913     -2.746905000
1        3.622539087     -4.787678913     -0.629727000
1       -6.228891069     -4.943100319     -1.409137350

-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









