%nprocshared=24
%mem=120GB
#p opt freq=(NoRaman) b3lyp genecp scf=xqc scrf=(smd,solvent=tetrahydrofuran) nosymm guess=always empiricaldispersion=gd3 integral=(grid=UltraFine)

LCuFIP

0 1
 Cu                 0.61412900    6.81972800    7.49589600
 N                  1.37844700    5.49632200    5.94019400
 C                  1.90170600    5.95398000    4.62420200
 H                  2.69324700    6.68607800    4.80134500
 O                  1.78816800    3.60611300    4.79422600
 O                 -0.62595200    3.07648700    8.89537800
 N                 -0.28282500    5.20179100    8.26380600
 C                  2.46861300    4.64996300    4.03388600
 H                  2.26974500    4.48740100    2.97492900
 H                  3.54135200    4.55119300    4.22584900
 C                  1.29066800    4.22260600    5.89607400
 O                  1.24186500    8.62338200    7.39260000
 C                  0.72601000    3.27444700    6.93352700
 C                 -0.08215100    3.95515100    8.02558200
 C                 -1.42568300    3.84714300    9.83793100
 H                 -1.18925800    3.49935400   10.84417300
 H                 -2.47798800    3.65121500    9.61580900
 F                  2.36945400   11.18170600    7.69794800
 C                 -1.02518500    5.31192200    9.55512200
 H                 -1.90509500    5.93645000    9.38849200
 F                  2.37747700   10.42451900    5.65723000
 F                  4.22621400   10.48431500    6.79856900
 F                  4.55915200    8.76865700    8.78124400
 F                  3.03113600    7.26172700    9.12614700
 F                  2.67798100    9.32411200    9.72846300
 C                  0.75644700    6.62064900    3.87533200
 C                  0.44629500    7.95430700    4.18023100
 H                  1.03249400    8.48684600    4.92370900
 C                 -0.64419200    8.58299100    3.57667400
 H                 -0.87101400    9.61733400    3.82275400
 C                 -1.44148100    7.88647900    2.66366100
 H                 -2.28758100    8.37717600    2.18961200
 C                 -1.14775600    6.55312700    2.36839400
 H                 -1.76700100    5.99981100    1.66693900
 C                 -0.05832700    5.92187900    2.97547800
 H                  0.13958300    4.87859100    2.74608300
 C                 -0.18126800    2.23634200    6.22266600
 H                 -0.58168100    1.53043900    6.95324400
 H                  0.39813400    1.68360300    5.48024700
 H                 -1.01707100    2.73105300    5.71621700
 C                  1.92584800    2.55722800    7.61483600
 H                  1.56224000    1.81556700    8.33051000
 H                  2.55913900    3.27894600    8.14160400
 H                  2.52636400    2.04978000    6.85483300
 C                 -0.12195600    5.97091800   10.58123700
 C                  0.97360800    5.28033700   11.11858400
 H                  1.15089700    4.24275800   10.84453300
 C                  1.85172800    5.91979100   11.99391400
 H                  2.69752400    5.37462800   12.40454900
 C                  1.64971900    7.26098000   12.33429100
 H                  2.33867200    7.76141800   13.00943100
 C                  0.56509400    7.95693300   11.79721600
 H                  0.40803800    9.00223300   12.04849400
 C                 -0.31648000    7.31300600   10.92563300
 H                 -1.15261300    7.85985400   10.49658000
 C                  2.58344500    8.80653300    7.37663700
 H                  3.15589100    8.14504100    6.68976600
 C                  2.89628300   10.23438900    6.89361100
 C                  3.21894300    8.55598700    8.76167800

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

-Cu 0
LANL2DZ


