%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_43

0 1
 C	 0.675680000	 3.384020000	 0.740250000
 H	 1.749020000	 3.247930000	 0.896740000
 N	 0.310000000	 2.710130000	-0.533540000
 O	-0.294350000	 4.849390000	-0.858820000
 Cu	 0.226450000	 0.616130000	-0.641230000
 C	 0.336950000	 4.870260000	 0.455120000
 H	-0.374120000	 5.306100000	 1.159990000
 H	 1.224560000	 5.504300000	 0.387570000
 N	-0.676220000	 0.878650000	-2.490040000
 O	-1.277250000	 1.822500000	-4.436570000
 C	-0.222530000	 3.578100000	-1.308650000
 C	-0.776200000	 3.401610000	-2.708390000
 C	-0.878070000	 1.955660000	-3.154350000
 C	-1.239240000	 0.398750000	-4.744140000
 H	-0.426180000	 0.234000000	-5.455910000
 H	-2.192290000	 0.127180000	-5.201100000
 C	-0.992130000	-0.275560000	-3.372150000
 H	-1.913110000	-0.729940000	-2.991170000
 C	 0.688930000	-0.767600000	 0.560340000
 C	 0.969320000	-1.643980000	 1.378970000
 C	 1.267360000	-2.688840000	 2.337360000
 C	 0.093960000	-3.435720000	 2.951280000
 C	 2.297010000	-2.187860000	 3.377640000
 O	 3.580430000	-2.359420000	 2.754800000
 H	 2.293140000	-2.787490000	 4.288640000
 H	 2.166110000	-1.146250000	 3.643360000
 O	 2.238230000	-3.728050000	 1.625200000
 C	 3.500670000	-3.346320000	 1.827760000
 O	 4.463170000	-3.795860000	 1.256550000
 C	 0.315060000	-4.613490000	 3.678680000
 C	-2.051180000	-4.792870000	 4.155310000
 C	-0.749730000	-5.288710000	 4.279720000
 C	-1.211170000	-2.940160000	 2.841770000
 C	-2.276240000	-3.606960000	 3.453910000
 H	-1.392590000	-2.028720000	 2.282020000
 H	 1.322610000	-5.011850000	 3.771450000
 H	-0.567000000	-6.214670000	 4.820880000
 H	-2.897220000	-5.386730000	 4.521760000
 H	-3.283020000	-3.205510000	 3.363270000
 C	-0.078180000	 2.750880000	 1.894660000
 C	 0.606330000	 2.054420000	 2.895250000
 C	-1.479070000	 2.797440000	 1.931440000
 C	-0.091290000	 1.415800000	 3.924280000
 H	 1.690840000	 1.995670000	 2.860770000
 C	-2.179860000	 2.170000000	 2.960990000
 H	-2.023560000	 3.321600000	 1.148020000
 C	-1.486870000	 1.474260000	 3.957650000
 H	 0.453680000	 0.869600000	 4.688050000
 H	-3.265880000	 2.219940000	 2.985310000
 H	-2.032960000	 0.974800000	 4.754390000
 C	 0.111580000	-1.312570000	-3.362730000
 C	-0.176790000	-2.651450000	-3.082030000
 C	 1.440060000	-0.936870000	-3.608320000
 C	 0.845710000	-3.604730000	-3.035290000
 H	-1.201140000	-2.946040000	-2.866630000
 C	 2.461090000	-1.887290000	-3.575410000
 H	 1.675140000	 0.104430000	-3.812660000
 C	 2.166070000	-3.224650000	-3.289150000
 H	 0.618110000	-4.634490000	-2.758960000
 H	 3.488450000	-1.582870000	-3.758010000
 H	 2.966170000	-3.959320000	-3.222110000
 C	-2.205090000	 4.008740000	-2.761520000
 H	-2.614170000	 3.900430000	-3.768700000
 H	-2.869170000	 3.498820000	-2.054430000
 H	-2.168860000	 5.069670000	-2.506470000
 C	 0.161090000	 4.162410000	-3.685920000
 H	 1.164400000	 3.722710000	-3.683580000
 H	-0.240890000	 4.116670000	-4.700170000
 H	 0.236240000	 5.209840000	-3.383000000

D 3 5 21 23 F
D 20 22 23 21 F
B 21 27 F

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

-Cu 0
LANL2DZ


