%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_32

0 1
 C	 0.761150000	 3.466040000	 0.698600000
 H	 1.828400000	 3.289790000	 0.865860000
 N	 0.374230000	 2.764400000	-0.553890000
 O	-0.119420000	 4.923460000	-0.951510000
 Cu	 0.178410000	 0.658880000	-0.581230000
 C	 0.491910000	 4.958650000	 0.368110000
 H	-0.203220000	 5.444820000	 1.056570000
 H	 1.407340000	 5.548150000	 0.285930000
 N	-0.732810000	 0.928300000	-2.437220000
 O	-1.269440000	 1.841880000	-4.425670000
 C	-0.113520000	 3.633270000	-1.357150000
 C	-0.671210000	 3.443870000	-2.751430000
 C	-0.860100000	 1.989780000	-3.144370000
 C	-1.330410000	 0.410970000	-4.679880000
 H	-0.512740000	 0.162510000	-5.367640000
 H	-2.288970000	 0.193390000	-5.150070000
 C	-1.154250000	-0.223220000	-3.275570000
 H	-2.113950000	-0.575000000	-2.878760000
 C	 0.637560000	-0.693530000	 0.684340000
 C	 0.984570000	-1.507160000	 1.548330000
 C	 1.355860000	-2.566830000	 2.465160000
 C	 0.262640000	-3.584570000	 2.794600000
 C	 2.060630000	-2.061280000	 3.749670000
 O	 3.443510000	-1.968560000	 3.408750000
 H	 1.982990000	-2.746580000	 4.599450000
 H	 1.703410000	-1.106150000	 4.047240000
 O	 2.518930000	-3.281840000	 1.851520000
 C	 3.659020000	-2.727880000	 2.314840000
 O	 4.764340000	-2.904190000	 1.871150000
 C	 0.619230000	-4.827940000	 3.343820000
 C	-1.726160000	-5.356080000	 3.667170000
 C	-0.378130000	-5.743610000	 3.701150000
 C	-1.092900000	-3.237940000	 2.654980000
 C	-2.079860000	-4.140420000	 3.068870000
 H	-1.347150000	-2.329470000	 2.100980000
 H	 1.668740000	-5.055660000	 3.530050000
 H	-0.093460000	-6.686950000	 4.157500000
 H	-2.499130000	-6.032470000	 4.024990000
 H	-3.101750000	-3.979840000	 2.736960000
 C	-0.031990000	 2.905750000	 1.862710000
 C	 0.612360000	 2.217300000	 2.889220000
 C	-1.432400000	 3.009050000	 1.886680000
 C	-0.115430000	 1.603540000	 3.911810000
 H	 1.694690000	 2.149700000	 2.882860000
 C	-2.166720000	 2.394950000	 2.904300000
 H	-1.942190000	 3.541300000	 1.087680000
 C	-1.509610000	 1.685470000	 3.915630000
 H	 0.425790000	 1.123210000	 4.716730000
 H	-3.252440000	 2.373860000	 2.836270000
 H	-2.087560000	 1.109050000	 4.636690000
 C	-0.155920000	-1.356950000	-3.211510000
 C	-0.588870000	-2.652570000	-2.930940000
 C	 1.206340000	-1.123580000	-3.453020000
 C	 0.327010000	-3.706180000	-2.843840000
 H	-1.652010000	-2.848580000	-2.793230000
 C	 2.121040000	-2.177750000	-3.382760000
 H	 1.544730000	-0.110000000	-3.668290000
 C	 1.686090000	-3.464960000	-3.036540000
 H	-0.036310000	-4.725890000	-2.728950000
 H	 3.182860000	-1.969310000	-3.474870000
 H	 2.406810000	-4.270220000	-2.907510000
 C	-2.057550000	 4.137650000	-2.836680000
 H	-2.468420000	 4.026180000	-3.841480000
 H	-2.757760000	 3.698040000	-2.115930000
 H	-1.956270000	 5.204210000	-2.621810000
 C	 0.318690000	 4.103510000	-3.749950000
 H	 1.291660000	 3.596830000	-3.726350000
 H	-0.080240000	 4.047970000	-4.763740000
 H	 0.459300000	 5.157490000	-3.485340000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


