%mem=47800MB
%nproc=20
#p B3LYP/GENecp opt=(ts,noeigentest,calcfc,maxstep=4) empiricaldispersion=GD3 nosymm freq=noraman SCRF(SMD,solv=dichloromethane) gfinput scf=yqc 

Copper nitrenes - Alkynes    --  PROJECT

0 1
29           0       -1.200386    0.734832    0.288584
 7           0        0.174878   -0.538062    1.353145
 7           0        1.194815   -1.074444    0.623652
 7           0       -0.734479   -2.175555   -0.978429
 7           0        0.005844   -1.194972   -1.573912
 7           0        0.344415    1.612027   -0.716964
 7           0        1.424506    0.830326   -1.012863
 5           0        1.319521   -0.713943   -0.876151
 6           0        0.252103   -1.067111    2.568856
 6           0        1.329202   -1.969069    2.661991
 6           0        1.897303   -1.940067    1.390355
 6           0       -1.721836   -2.455128   -1.817336
 6           0       -1.655488   -1.668214   -2.986788
 6           0       -0.521393   -0.886490   -2.789005
 6           0        0.695463    2.872128   -0.962674
 6           0        2.025128    2.940798   -1.419401
 6           0        2.446055    1.613000   -1.431824
 1           0        2.288644   -1.221063   -1.345476
35           0        3.006382    4.472088   -1.907676
35           0        4.124962    0.945857   -1.954343
35           0       -3.021775   -3.760276   -1.380477
35           0       -2.825206   -1.662542   -4.465873
35           0        0.227238    0.370278   -3.979711
35           0       -0.980024   -0.590340    3.920141
35           0        1.879210   -2.977912    4.154729
35           0        3.392479   -2.905457    0.775669
35           0       -0.522945    4.285288   -0.710283
 6           0       -8.330998   -0.047062    1.342546
 6           0       -7.281978   -0.222168    2.241868
 6           0       -5.725598    0.866605    0.280204
 6           0       -6.964343    1.280996   -0.241514
 6           0       -8.156088    0.698545    0.146560
 1           0       -7.529092   -0.369933    3.291551
 1           0       -6.976452    2.116278   -0.937720
 1           0       -9.054843    0.985716   -0.393784
16           0       -4.244858    1.849266    0.051179
 8           0       -4.065154    2.209847   -1.358080
 8           0       -4.039592    2.865343    1.085818
 7           0       -3.155806    0.509942    0.417881
 6           0       -5.329596   -0.529329    0.616909
 6           0       -5.893388   -1.704263   -0.150684
 6           0       -6.038775   -1.629178   -1.539962
 6           0       -6.183802   -2.897908    0.517893
 6           0       -6.482336   -2.740930   -2.256926
 1           0       -5.805764   -0.703487   -2.058752
 6           0       -6.617804   -4.012791   -0.201728
 1           0       -6.075099   -2.952326    1.597581
 6           0       -6.771044   -3.934269   -1.590004
 1           0       -6.595298   -2.676368   -3.335574
 1           0       -6.844539   -4.937505    0.322111
 1           0       -7.116485   -4.800210   -2.148274
 6           0       -3.823210   -0.561244    0.656604
 6           0       -5.913900   -0.104889    1.938192
 1           0       -5.207167    0.118514    2.733943
 6           0       -9.732299   -0.451626    1.734944
 1           0       -9.809373   -0.649978    2.809000
 1           0      -10.468566    0.314730    1.466849
 1           0      -10.016144   -1.373115    1.208679
 1           0       -3.291763   -1.483265    0.882837

Cu
LANL2DZ
****
Br
LANL2DZ
P   1   1.00
      0.0376000              1.0000000
D   1   1.00
      0.4340000              1.0000000
****
C N H B O S
6-31G(d)
****

Cu
LANL2DZ
Br
LANL2DZ



