%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_28

0 1
 C	 0.809440000	 3.497310000	 0.671280000
 H	 1.872000000	 3.298060000	 0.841810000
 N	 0.403150000	 2.780320000	-0.567730000
 O	-0.024150000	 4.948320000	-1.002480000
 Cu	 0.138380000	 0.677510000	-0.550680000
 C	 0.579600000	 4.991120000	 0.317930000
 H	-0.106950000	 5.503940000	 0.997600000
 H	 1.510050000	 5.557800000	 0.226290000
 N	-0.769490000	 0.950370000	-2.411140000
 O	-1.266420000	 1.846550000	-4.419700000
 C	-0.058190000	 3.652900000	-1.384880000
 C	-0.617210000	 3.455040000	-2.778740000
 C	-0.855880000	 2.004120000	-3.140990000
 C	-1.381300000	 0.415690000	-4.650280000
 H	-0.569720000	 0.121770000	-5.324820000
 H	-2.346430000	 0.228670000	-5.122880000
 C	-1.239990000	-0.195470000	-3.228140000
 H	-2.216900000	-0.494450000	-2.829860000
 C	 0.574740000	-0.667110000	 0.746040000
 C	 0.942490000	-1.457270000	 1.634330000
 C	 1.358700000	-2.516270000	 2.528150000
 C	 0.349000000	-3.654220000	 2.702740000
 C	 1.906150000	-2.055700000	 3.904220000
 O	 3.291330000	-1.803890000	 3.707820000
 H	 1.848680000	-2.806110000	 4.699840000
 H	 1.415630000	-1.187060000	 4.239910000
 O	 2.636530000	-3.062860000	 1.975380000
 C	 3.664870000	-2.413620000	 2.567750000
 O	 4.813980000	-2.394300000	 2.205940000
 C	 0.788100000	-4.903800000	 3.177700000
 C	-1.522340000	-5.621290000	 3.406650000
 C	-0.146980000	-5.921150000	 3.421470000
 C	-1.031690000	-3.400390000	 2.543090000
 C	-1.953760000	-4.412190000	 2.839540000
 H	-1.326020000	-2.489020000	 1.998030000
 H	 1.841400000	-5.045820000	 3.425330000
 H	 0.196900000	-6.864900000	 3.837990000
 H	-2.249460000	-6.358920000	 3.729020000
 H	-2.933730000	-4.370390000	 2.366670000
 C	-0.000040000	 2.978030000	 1.844830000
 C	 0.628010000	 2.291170000	 2.879850000
 C	-1.396040000	 3.113840000	 1.866220000
 C	-0.109540000	 1.699230000	 3.906600000
 H	 1.710100000	 2.217970000	 2.882480000
 C	-2.145410000	 2.516060000	 2.884490000
 H	-1.893470000	 3.650870000	 1.058860000
 C	-1.502620000	 1.800550000	 3.904600000
 H	 0.436780000	 1.239660000	 4.720470000
 H	-3.228940000	 2.468240000	 2.780380000
 H	-2.092590000	 1.192000000	 4.588030000
 C	-0.291870000	-1.368290000	-3.133850000
 C	-0.790630000	-2.638820000	-2.843070000
 C	 1.078390000	-1.204750000	-3.377920000
 C	 0.070950000	-3.732300000	-2.724420000
 H	-1.864820000	-2.787630000	-2.738590000
 C	 1.939660000	-2.302290000	-3.273160000
 H	 1.462890000	-0.209700000	-3.612440000
 C	 1.445460000	-3.554540000	-2.878150000
 H	-0.339080000	-4.734660000	-2.619100000
 H	 3.013300000	-2.137530000	-3.325740000
 H	 2.128300000	-4.362730000	-2.623140000
 C	-1.979750000	 4.197490000	-2.879350000
 H	-2.389980000	 4.080800000	-3.884650000
 H	-2.695820000	 3.797320000	-2.151300000
 H	-1.841780000	 5.263400000	-2.685530000
 C	 0.398350000	 4.062150000	-3.783630000
 H	 1.350330000	 3.518910000	-3.747150000
 H	 0.000210000	 3.999640000	-4.797690000
 H	 0.575130000	 5.112610000	-3.538110000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


