%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_R1OH_v1a

1 1
 C                  4.83790300   12.24306700    5.00862300
 H                  5.85432200   11.84260300    5.04019000
 N                  4.13073400   11.71239100    3.82561700
 O                  3.96052300   13.93892100    3.60988000
 Cu                 3.66572200    9.74924000    3.54928300
 C                  4.80059700   13.77225600    4.80024100
 H                  4.32685900   14.32165600    5.61516200
 H                  5.77666800   14.20823300    4.57532000
 N                  2.42979300   10.22570900    2.00433700
 O                  1.43536700   11.48938500    0.43961300
 C                  3.67917000   12.70969400    3.15804600
 C                  2.87202500   12.69364200    1.89772900
 C                  2.25869900   11.38922600    1.49080400
 C                  0.97178700   10.13367000    0.12886800
 H                  1.33200300    9.88700000   -0.87237500
 H                 -0.11924700   10.14922300    0.13748600
 C                  1.59774400    9.27000300    1.24510400
 H                  0.85227000    8.83296300    1.91554000
 C                  4.18633200    8.26880400    4.53635200
 C                  4.53872519    7.26671882    5.20448438
 C                  4.92050958    6.18105518    5.92834202
 C                  6.02207043    5.31012679    5.57835940
 C                  4.06737709    5.86486459    7.14655031
 O                  3.01579558    6.81412686    7.36013427
 H                  4.70102228    5.78236834    8.03446099
 H                  3.55684036    4.90863478    6.99899092
 C                  6.34146427    4.17176861    6.35750017
 C                  8.15531879    3.63959837    4.85101149
 C                  7.39817723    3.34748022    5.99179855
 C                  6.79804907    5.58988068    4.42649991
 C                  7.85273889    4.76289753    4.07005503
 H                  6.55533837    6.45889075    3.82276929
 H                  5.76993737    3.92940742    7.24676438
 H                  7.63620659    2.47694301    6.59516690
 H                  8.98132869    2.99218539    4.57057245
 H                  8.44095000    4.98616990    3.18524626
 C                  4.08602500   11.78575429    6.27240485
 C                  4.30785783   10.51026107    6.79238432
 C                  3.18480931   12.64700382    6.89792965
 C                  3.62778540   10.09603260    7.93757618
 H                  5.01876286    9.83155533    6.29931700
 C                  2.50404915   12.23243898    8.04331959
 H                  3.01037466   13.65260453    6.48849555
 C                  2.72552564   10.95706492    8.56284456
 H                  3.80237150    9.09071370    8.34743301
 H                  1.79347691   12.91165663    8.53631738
 H                  2.18915528   10.63004156    9.46552766
 C                  2.48552444    8.13609297    0.69949065
 C                  2.46123022    6.87913671    1.30442220
 C                  3.31237289    8.36515367   -0.40008862
 C                  3.26444372    5.85157461    0.80994031
 H                  1.80892886    6.69862264    2.17105963
 C                  4.11632275    7.33731554   -0.89448718
 H                  3.33110792    9.35569541   -0.87734388
 C                  4.09233525    6.08082148   -0.28935555
 H                  3.24555237    4.86088681    1.28671050
 H                  4.76822585    7.51817459   -1.76144087
 H                  4.72583108    5.27056137   -0.67875998
 H                  2.51286355    6.56472347    8.13888797
 C                  1.74789680   13.73852290    2.02484980
 H                  1.05555601   13.42758457    2.77909219
 H                  2.16895818   14.68429333    2.29526730
 H                  1.23812643   13.82967918    1.08851402
 C                  3.76276400   13.18739161    0.74256868
 H                  4.59778519   12.52802042    0.62912598
 H                  3.19486576   13.20299441   -0.16415517
 H                  4.11453088   14.17421969    0.96012420

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

-Cu 0
LANL2DZ




