%nprocshared=12
%mem=20GB
#p opt freq=noraman b3lyp genecp scrf=(smd,solvent=tetrahydrofuran) nosymm guess=always empiricaldispersion=gd3 int=grid=ultrafine scf=xqc

LCu1_R1_v1b

0 1
 C                  4.89420300   12.87026500    4.64569000
 H                  5.83329400   12.33987000    4.82558900
 N                  4.09100900   12.12012300    3.66047800
 O                  4.37543100   14.14598600    2.72081200
 Cu                 3.50931700   10.11686900    3.88326200
 C                  5.09824500   14.25400500    3.98908500
 H                  4.65717100   15.07961500    4.55153000
 H                  6.14077900   14.48236100    3.75617400
 N                  2.60020700   10.24134400    2.01518200
 O                  1.83640000   11.11641700    0.08720100
 C                  3.86919500   12.89924600    2.67013700
 C                  3.09594200   12.62654300    1.41762000
 C                  2.52073000   11.25593900    1.23820200
 C                  1.31690700    9.74894900    0.06913700
 H                  1.68058000    9.26810800   -0.84116600
 H                  0.22649100    9.81096300    0.04313100
 C                  1.87273600    9.12993000    1.37080100
 H                  1.08759500    8.77286700    2.04249100
 C                  3.78210500    8.80403200    5.22882600
 C                  3.99416800    7.97325400    6.11244000
 C                  4.23951200    6.97332500    7.14716200
 C                  5.25974219    7.40008722    8.20005391
 C                  4.55651126    5.56560450    6.56297374
 O                  3.26042995    4.94885952    6.45143904
 H                  5.17087214    4.97000242    7.24499882
 H                  5.01648309    5.61112492    5.57661498
 O                  2.97191750    6.68233831    7.82385355
 C                  2.40087484    5.58617672    7.27816353
 O                  1.27561932    5.22188566    7.50008048
 C                  5.30964954    6.72216569    9.42678636
 C                  7.18452069    8.08566926   10.12431057
 C                  6.26359680    7.06580657   10.38445299
 C                  6.17955350    8.42183762    7.94600505
 C                  7.13992899    8.76058872    8.90318911
 H                  6.13728629    8.95309435    7.00040513
 H                  4.59284762    5.93378526    9.63666858
 H                  6.28628163    6.53869637   11.33458533
 H                  7.92874294    8.35230958   10.87009486
 H                  7.84925288    9.55667947    8.69254903
 C                  4.12375546   12.94388812    5.97707658
 C                  4.23977398   11.91099548    6.90774512
 C                  3.31153770   14.04357772    6.25313241
 C                  3.54288462   11.97775988    8.11415959
 H                  4.88053972   11.04428295    6.69009522
 C                  2.61393661   14.11015640    7.45983724
 H                  3.22053308   14.85804982    5.51988629
 C                  2.72960398   13.07725012    8.39003221
 H                  3.63407126   11.16368335    8.84770811
 H                  1.97354650   14.97729422    7.67725122
 H                  2.17993383   13.12942424    9.34114462
 C                  2.85011431    7.96785146    1.11408110
 C                  2.91357044    6.89957460    2.00919523
 C                  3.67044040    7.98251713   -0.01378048
 C                  3.79798285    5.84637659    1.77652213
 H                  2.26640993    6.88798901    2.89812260
 C                  4.55560686    6.92912886   -0.24631015
 H                  3.62003163    8.82420673   -0.71969414
 C                  4.61933151    5.86137115    0.64888237
 H                  3.84825261    5.00441495    2.48200251
 H                  5.20234803    6.94093997   -1.13562601
 H                  5.31684833    5.03103167    0.46590463
 C                  1.94661401   13.64760178    1.32770811
 H                  1.48906824   13.58551822    0.36246333
 H                  1.21872844   13.43263039    2.08194275
 H                  2.33348667   14.63409341    1.47624705
 C                  4.00273639   12.93116745    0.21075303
 H                  4.87640043   12.31512267    0.25657844
 H                  3.47067555   12.72870500   -0.69523826
 H                  4.29117837   13.96132929    0.23238184

-C -N -O -H -S -F 0
6-31g(d)
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ






