%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_v1a

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                  4.30809271    5.54100859    6.62243027
 C                  3.25250258    7.11099945    8.34311334
 O                  3.93679243    8.00338885    9.24201806
 H                  3.09242877    6.15549215    8.85176008
 H                  2.29987868    7.55443536    8.05602085
 O                  5.50128241    7.27587827    7.82964091
 C                  5.25742557    7.98754378    8.95191700
 O                  6.10401567    8.53397379    9.60983381
 C                  4.87992639    4.54031097    7.42152437
 C                  4.36476527    2.87754813    5.73907002
 C                  4.91163413    3.21752769    6.98053817
 C                  3.76646692    5.19730081    5.38022497
 C                  3.79194555    3.87034017    4.94227403
 H                  3.33075966    5.97173627    4.75685643
 H                  5.31184112    4.79973040    8.38357970
 H                  5.36536516    2.45279696    7.60537917
 H                  4.38824146    1.84648917    5.39625184
 H                  3.36697635    3.61690756    3.97457408
 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




