%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_12

0 1
 C	 1.080970000	 3.503130000	 0.520940000
 H	 2.117110000	 3.174430000	 0.652610000
 N	 0.526200000	 2.768680000	-0.646420000
 O	 0.358840000	 4.955560000	-1.193900000
 Cu	-0.027340000	 0.707230000	-0.465940000
 C	 1.018100000	 4.996370000	 0.097390000
 H	 0.423760000	 5.625560000	 0.767410000
 H	 2.005130000	 5.441350000	-0.059490000
 N	-0.939450000	 1.020620000	-2.336760000
 O	-1.371450000	 1.868240000	-4.388600000
 C	 0.150780000	 3.652780000	-1.497770000
 C	-0.477150000	 3.462240000	-2.860510000
 C	-0.907800000	 2.035980000	-3.127500000
 C	-1.665460000	 0.457710000	-4.544450000
 H	-0.909630000	 0.026140000	-5.211330000
 H	-2.656100000	 0.376290000	-4.997850000
 C	-1.579390000	-0.086420000	-3.089150000
 H	-2.578520000	-0.230650000	-2.659100000
 C	 0.261700000	-0.630640000	 0.935320000
 C	 0.593780000	-1.403760000	 1.872560000
 C	 1.097660000	-2.396130000	 2.818450000
 C	 0.726870000	-3.844630000	 2.442970000
 C	 0.821100000	-2.140510000	 4.335360000
 O	 1.945350000	-1.437380000	 4.837070000
 H	 0.806290000	-3.019970000	 4.988150000
 H	-0.100810000	-1.612180000	 4.445590000
 O	 2.583960000	-2.274150000	 2.860260000
 C	 2.929560000	-1.506420000	 3.917160000
 O	 3.963100000	-0.932800000	 4.134750000
 C	 1.460790000	-4.916990000	 3.000010000
 C	-0.349440000	-6.452840000	 2.441760000
 C	 1.009560000	-6.237450000	 2.819420000
 C	-0.544530000	-4.091850000	 1.831400000
 C	-1.012860000	-5.411970000	 1.757250000
 H	-0.968390000	-3.256800000	 1.245170000
 H	 2.299280000	-4.711940000	 3.678350000
 H	 1.582100000	-7.054570000	 3.261130000
 H	-0.791240000	-7.434260000	 2.506230000
 H	-1.673740000	-5.686840000	 0.943490000
 C	 0.266090000	 3.151530000	 1.750550000
 C	 0.862750000	 2.461040000	 2.796390000
 C	-1.098730000	 3.459850000	 1.828120000
 C	 0.144290000	 2.030230000	 3.903740000
 H	 1.931400000	 2.326190000	 2.770790000
 C	-1.853490000	 3.018240000	 2.925120000
 H	-1.567280000	 4.007390000	 1.009060000
 C	-1.221800000	 2.304190000	 3.965040000
 H	 0.700850000	 1.587200000	 4.719300000
 H	-2.939700000	 2.960840000	 2.802680000
 H	-1.838340000	 1.800470000	 4.704760000
 C	-0.793040000	-1.365600000	-2.934330000
 C	-1.467480000	-2.544170000	-2.626250000
 C	 0.584020000	-1.405390000	-3.204290000
 C	-0.770050000	-3.750130000	-2.543440000
 H	-2.557070000	-2.540900000	-2.521550000
 C	 1.291540000	-2.601230000	-3.015000000
 H	 1.092230000	-0.487080000	-3.505900000
 C	 0.623220000	-3.758000000	-2.587770000
 H	-1.322530000	-4.690500000	-2.531530000
 H	 2.379330000	-2.565370000	-2.970030000
 H	 1.171210000	-4.660300000	-2.339610000
 C	-1.738950000	 4.365510000	-2.961810000
 H	-2.194740000	 4.251530000	-3.947920000
 H	-2.471790000	 4.099700000	-2.191220000
 H	-1.461310000	 5.412610000	-2.834580000
 C	 0.572420000	 3.879570000	-3.927630000
 H	 1.448570000	 3.220430000	-3.887820000
 H	 0.134240000	 3.818950000	-4.925470000
 H	 0.885460000	 4.912040000	-3.750850000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


