%nprocshared=8
%mem=20GB
#p opt=(modredundant,maxstep=7) genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

geom_24

0 1
 C	 0.857050000	 3.514850000	 0.639190000
 H	 1.917380000	 3.295330000	 0.808260000
 N	 0.427440000	 2.785810000	-0.582590000
 O	 0.054880000	 4.961560000	-1.043220000
 Cu	 0.100180000	 0.689680000	-0.528540000
 C	 0.657150000	 5.010790000	 0.270620000
 H	-0.015530000	 5.547330000	 0.947490000
 H	 1.604380000	 5.556960000	 0.166710000
 N	-0.802860000	 0.965380000	-2.392690000
 O	-1.271360000	 1.851820000	-4.415380000
 C	-0.014390000	 3.663650000	-1.409600000
 C	-0.579790000	 3.461310000	-2.801820000
 C	-0.857330000	 2.013810000	-3.141440000
 C	-1.426110000	 0.421610000	-4.631260000
 H	-0.616830000	 0.093760000	-5.293650000
 H	-2.395570000	 0.256020000	-5.102640000
 C	-1.308950000	-0.176250000	-3.193270000
 H	-2.296220000	-0.430920000	-2.795900000
 C	 0.506800000	-0.647580000	 0.800460000
 C	 0.881280000	-1.425730000	 1.706910000
 C	 1.333600000	-2.479740000	 2.586780000
 C	 0.418590000	-3.711550000	 2.624240000
 C	 1.742620000	-2.064690000	 4.027760000
 O	 3.107700000	-1.691570000	 3.966710000
 H	 1.707910000	-2.862890000	 4.779170000
 H	 1.135980000	-1.277930000	 4.375440000
 O	 2.695790000	-2.878690000	 2.103670000
 C	 3.613110000	-2.165750000	 2.810330000
 O	 4.777520000	-1.986500000	 2.534980000
 C	 0.933120000	-4.949940000	 3.054080000
 C	-1.334750000	-5.832260000	 3.202880000
 C	 0.062630000	-6.048850000	 3.212080000
 C	-0.979400000	-3.551340000	 2.431260000
 C	-1.834670000	-4.642120000	 2.640330000
 H	-1.306090000	-2.639630000	 1.887240000
 H	 1.979670000	-5.019190000	 3.364860000
 H	 0.461180000	-6.980690000	 3.605430000
 H	-2.016510000	-6.621320000	 3.496460000
 H	-2.763420000	-4.685860000	 2.073870000
 C	 0.039560000	 3.030880000	 1.826480000
 C	 0.661010000	 2.346570000	 2.864950000
 C	-1.350200000	 3.200400000	 1.855540000
 C	-0.081890000	 1.781090000	 3.905290000
 H	 1.741100000	 2.267240000	 2.870930000
 C	-2.106640000	 2.621680000	 2.881470000
 H	-1.842830000	 3.735350000	 1.038520000
 C	-1.472280000	 1.907730000	 3.906190000
 H	 0.474970000	 1.333220000	 4.722740000
 H	-3.191290000	 2.549350000	 2.751700000
 H	-2.066600000	 1.288680000	 4.576450000
 C	-0.396930000	-1.374150000	-3.080110000
 C	-0.945510000	-2.624790000	-2.786230000
 C	 0.975250000	-1.261420000	-3.321260000
 C	-0.122070000	-3.746350000	-2.650170000
 H	-2.025790000	-2.738100000	-2.702040000
 C	 1.796620000	-2.384650000	-3.186760000
 H	 1.394030000	-0.283230000	-3.570960000
 C	 1.261360000	-3.613120000	-2.764380000
 H	-0.563960000	-4.734070000	-2.563670000
 H	 2.878090000	-2.251230000	-3.201120000
 H	 1.910370000	-4.421340000	-2.437360000
 C	-1.923050000	 4.240250000	-2.910300000
 H	-2.337540000	 4.119440000	-3.914550000
 H	-2.649580000	 3.867750000	-2.172890000
 H	-1.756920000	 5.306330000	-2.731640000
 C	 0.450510000	 4.026400000	-3.810920000
 H	 1.384190000	 3.456540000	-3.771820000
 H	 0.051640000	 3.962120000	-4.823910000
 H	 0.658190000	 5.072730000	-3.585390000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


