%nprocshared=12
%mem=20GB
#p wb97xd/genecp scrf=(solvent=dichloromethane,pcm) nosymm scf=yqc
 
A1_minimum CB1
 
1 1 
7             2.349760    0.617148    0.663477
 7             0.444864    2.081536    0.786581
 6             2.537649    1.659120    1.595571
 6             1.476623    2.471877    1.674206
 1             3.473651    1.726453    2.130171
 1             1.343407    3.345805    2.294141
 6             3.319074   -0.404946    0.400442
 6             3.089728   -1.702874    0.892698
 6             4.474001   -0.083527   -0.336647
 6             4.051504   -2.681482    0.635803
 6             1.856195   -2.061145    1.704244
 6             5.413257   -1.093517   -0.553230
 6             4.731535    1.315004   -0.875297
 1             3.900702   -3.690708    1.008565
 6             5.205979   -2.381464   -0.075885
 1             1.192913   -1.192999    1.710380
 6             1.077323   -3.226265    1.080667
 6             2.222232   -2.347437    3.165915
 1             6.320211   -0.869894   -1.107552
 1             3.824805    1.908202   -0.735134
 6             5.029667    1.301246   -2.380303
 6             5.868481    1.998226   -0.101751
 1             5.947175   -3.153716   -0.258284
 1             0.130977   -3.376017    1.611949
 1             0.856732   -3.034757    0.022451
 1             1.639681   -4.165382    1.131270
 1             2.900601   -3.204648    3.243929
 1             1.322108   -2.576012    3.747154
 1             2.714068   -1.480931    3.620050
 1             5.985202    0.812911   -2.601876
 1             5.086753    2.327234   -2.759701
 1             4.247264    0.774105   -2.935668
 1             6.811096    1.452721   -0.226956
 1             5.650690    2.048395    0.970240
 1             6.017650    3.019849   -0.467781
 6            -0.948104    2.303184    1.062574
 6            -1.667313    3.202677    0.257428
 6            -1.561754    1.591415    2.114143
 6            -3.023672    3.392257    0.535984
 6            -1.027153    3.920105   -0.918216
 6            -2.917110    1.820454    2.355618
 6            -0.792424    0.619825    2.996827
 1            -3.603824    4.079542   -0.073140
 6            -3.643351    2.713409    1.576960
 1             0.052289    3.757222   -0.864665
 6            -1.523614    3.309237   -2.236626
 6            -1.272189    5.433428   -0.881131
 1            -3.413291    1.293155    3.164931
 1             0.186724    0.446868    2.543113
 6            -1.483773   -0.743616    3.122085
 6            -0.540192    1.231177    4.382434
 1            -4.698056    2.874496    1.778165
 1            -1.068045    3.819388   -3.092172
 1            -1.266768    2.245023   -2.298898
 1            -2.612654    3.400105   -2.329177
 1            -2.331350    5.680447   -1.014370
 1            -0.716399    5.920344   -1.689411
 1            -0.940133    5.862962    0.069508
 1            -2.439097   -0.671437    3.652892
 1            -0.845379   -1.432438    3.685728
 1            -1.681680   -1.195338    2.143572
 1            -1.485537    1.419110    4.904348
 1            -0.000735    2.180100    4.302714
 1             0.057392    0.547302    4.994844
 6            -2.313170   -1.720936   -0.533060
 6            -3.594163   -1.203639   -0.768541
 6            -4.750032   -2.031722   -0.902440
 6            -3.748830    0.208941   -0.886908
 6            -5.981314   -1.469241   -1.157108
 1            -4.654676   -3.107495   -0.798347
 6            -4.986537    0.763582   -1.139047
 1            -2.879162    0.847914   -0.762301
 6            -6.095479   -0.076456   -1.276498
 1            -6.860031   -2.095012   -1.262760
 1            -5.098135    1.838539   -1.221960
 1            -7.070016    0.358608   -1.475306
 6            -2.150438   -3.168591   -0.273212
 8            -2.480256   -3.648274    0.793359
 8            -1.525470   -3.798879   -1.254350
 6            -1.184274   -5.190225   -1.026980
 1            -2.109919   -5.771161   -1.014599
 1            -0.707331   -5.269829   -0.047212
 6            -0.258436   -5.611808   -2.144624
 1             0.014528   -6.662313   -2.009445
 1            -0.743765   -5.503255   -3.118671
 1             0.657107   -5.012882   -2.135535
15             0.950276    0.854196   -0.241788
 8             1.416122    1.565785   -1.633388
 6             1.276586    0.854335   -2.878773
 1             0.262815    0.438624   -2.951354
 1             1.989986    0.023249   -2.898330
 6             1.542146    1.826427   -4.006549
 1             1.455816    1.308849   -4.966636
 1             0.820369    2.647174   -3.984734
 1             2.549760    2.243704   -3.924715
29            -0.683458   -0.678221   -0.449684

-C -N -O -P -H 0 
cc-pVTZ 
****
-Cu 0
cc-pVTZ 
F  1  1.0 
3.525    1.000
****




