%nprocshared=24
%mem=124GB
#p opt freq b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm
pop=full empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

c3

1 3
 C                 -2.04174234    0.26315789    0.00000000
 C                 -1.45818634   -0.59256111   -1.10329900
 C                 -1.39136434   -0.10480611    1.32141700
 C                 -1.72581334    1.71104689   -0.33147300
 C                 -1.41734134    2.28163189   -1.55232100
 H                 -1.29359334    1.87664989   -2.54449300
 C                 -2.02902534   -1.07640011   -2.25756200
 H                 -3.03860634   -1.05905211   -2.63476400
 C                 -1.92766934   -0.58330711    2.49303300
 H                 -2.93730934   -0.80804011    2.79752400
 N                 -0.85757834   -0.74825411    3.31245900
 N                 -1.22261434    3.58835789   -1.27042900
 N                 -0.98956034   -1.62234011   -2.94333400
 N                 -1.69729934    2.69133389    0.61851600
 N                 -1.39229834    3.82652189    0.04945000
 N                  0.15866766   -1.48950311   -2.28072600
 N                 -0.12514234   -0.86141811   -1.16697300
 N                 -0.04309134   -0.02188911    1.49843200
 N                  0.28342466   -0.41706711    2.70567100
 Cu                 1.28824066    0.25911789   -0.06312900
 O                 -3.43196134   -0.04350911    0.02614300
 C                 -4.29421634    0.92681389    0.62985800
 H                 -4.39520834    1.82048489    0.00273700
 H                 -5.26649134    0.43610689    0.71881800
 H                 -3.94838634    1.22956589    1.62471700
 C                 -0.93170034   -1.97296311   -4.37402800
 H                 -0.13072134   -2.70758511   -4.47896800
 H                 -1.88242134   -2.43755011   -4.64010600
 C                 -0.85358034    4.67678489   -2.17722000
 H                 -1.66429534    4.81216289   -2.89903000
 H                 -0.81080634    5.56991089   -1.54663900
 C                 -0.83241634   -1.32283211    4.66594500
 H                  0.13450266   -1.03874211    5.08766200
 H                 -1.62096834   -0.83699011    5.24451800
 C                 -0.66750134   -0.70979611   -5.17416900
 C                  0.54809666   -0.02601211   -5.01140900
 C                 -1.65774334   -0.17253811   -6.00309700
 C                  0.75518866    1.19301789   -5.65702100
 H                  1.32215166   -0.43554711   -4.36764500
 C                 -1.44071034    1.04176689   -6.66313100
 H                 -2.60103434   -0.69928611   -6.12828200
 C                 -0.23919134    1.73042789   -6.48218100
 H                  1.68678766    1.72983189   -5.50305800
 H                 -2.21461434    1.45211789   -7.30655100
 H                 -0.07602834    2.68333389   -6.97871200
 C                 -1.01435434   -2.82602711    4.63026500
 C                 -2.11325934   -3.42297711    5.25642200
 C                 -0.08330634   -3.62935811    3.95634100
 C                 -2.27996234   -4.81065011    5.21598500
 H                 -2.83873934   -2.80266211    5.77735600
 C                 -0.25279734   -5.01303711    3.91078000
 H                  0.77062166   -3.16731811    3.46637300
 C                 -1.35185634   -5.60677311    4.54186600
 H                 -3.13598334   -5.26595611    5.70681400
 H                  0.47332166   -5.62852211    3.38656200
 H                 -1.48210534   -6.68510611    4.50727800
 C                  0.46420866    4.43900789   -2.88739500
 C                  0.60574066    4.84289289   -4.22067400
 C                  1.55489266    3.86419189   -2.22242000
 C                  1.82883066    4.69119289   -4.87862600
 H                 -0.24253034    5.27825989   -4.74389000
 C                  2.77347066    3.70304189   -2.88390800
 H                  1.45733766    3.52912189   -1.19263600
 C                  2.91560366    4.12042989   -4.21034700
 H                  1.92778966    5.00844689   -5.91362600
 H                  3.60682466    3.24548389   -2.36211100
 H                  3.86640866    3.99114689   -4.71967300
 N                  2.33978966    0.50460389   -1.68335000
 S                  3.63473666   -0.47303311   -1.97785800
 O                  4.10331766   -1.24466611   -0.80258100
 O                  3.33512566   -1.24218811   -3.21161100
 C                  4.88226666    0.74812289   -2.35905700
 C                  5.55895066    1.38193189   -1.31120600
 C                  5.11147066    1.10478589   -3.68891000
 C                  6.47603166    2.38514889   -1.61085600
 H                  5.35398166    1.10112489   -0.28394000
 C                  6.04291766    2.10415989   -3.97023900
 H                  4.57197066    0.60367189   -4.48584100
 C                  6.73015066    2.76446589   -2.94045100
 H                  7.00369766    2.88555089   -0.80260300
 H                  6.23568166    2.37957089   -5.00407300
 C                  7.70936266    3.87146789   -3.24055500
 H                  8.65595266    3.71843789   -2.70862000
 H                  7.92456966    3.94026689   -4.31155300
 H                  7.31137866    4.84131889   -2.91438500
 C                  0.79834855    1.96641068    1.50247158
 H                  1.01054210    2.80374229    0.85018843
 C                  1.67968601    1.57903146    2.45082811
 H                  1.40653706    0.73872236    3.08701848
 H                 -0.19027979    1.52802892    1.41086356
 C                  2.98839677    2.16900258    2.72694255
 C                  3.43341388    3.36112217    2.12229399
 C                  3.84822853    1.52233513    3.63694586
 C                  4.68833651    3.88378116    2.41548870
 H                  2.79590290    3.88619466    1.41965578
 C                  5.10804697    2.04206069    3.92708997
 H                  3.51799756    0.60275294    4.11390474
 C                  5.53281639    3.22716618    3.31906469
 H                  5.00957278    4.80085597    1.92984455
 H                  5.75618471    1.52650200    4.63071251
 H                  6.51176860    3.63890470    3.54889630

-Cu 0
LANL2DZ
****
-N -C -H -O -Cl -S 0
6-31g*
****
-I     0
LANL2DZ
D   1   1.00
      0.2940000              1.0000000
****

-Cu -I 0
LANL2DZ







