%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_v1b

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                  4.44152900    7.39612400    5.40125700
 C                  4.61135100    6.59043000    6.48311300
 C                  5.82168147    6.13886881    7.13551858
 C                  3.27530478    5.97063700    6.86084317
 O                  2.17274057    6.51731685    6.12733520
 H                  3.11027113    6.06771080    7.93789369
 H                  3.28011298    4.90610416    6.60876441
 C                  5.79282613    5.13985597    8.13855040
 C                  8.19569026    5.28134043    8.35992706
 C                  6.97170777    4.71830420    8.74051676
 C                  7.06922455    6.69675251    6.76190456
 C                  8.24103826    6.27166804    7.36975365
 H                  7.09818489    7.46006638    5.99048322
 H                  4.85509920    4.69320368    8.45054835
 H                  6.94023437    3.95203518    9.50888359
 H                  9.11424568    4.94871647    8.83500518
 H                  9.19187663    6.70556363    7.07586519
 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                  1.35951537    6.09027050    6.40643410
 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




