%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_16

0 1
 C	 0.975840000	 3.520770000	 0.577770000
 H	 2.022600000	 3.238200000	 0.729010000
 N	 0.480660000	 2.785090000	-0.616080000
 O	 0.228240000	 4.969170000	-1.131150000
 Cu	 0.022940000	 0.700990000	-0.489770000
 C	 0.855740000	 5.016240000	 0.176220000
 H	 0.220380000	 5.605690000	 0.844870000
 H	 1.825450000	 5.506350000	 0.047730000
 N	-0.881940000	 1.001810000	-2.361460000
 O	-1.311670000	 1.861630000	-4.406420000
 C	 0.082150000	 3.664530000	-1.460090000
 C	-0.511250000	 3.467860000	-2.837540000
 C	-0.877970000	 2.029580000	-3.135360000
 C	-1.549450000	 0.442600000	-4.585800000
 H	-0.767310000	 0.049470000	-5.245150000
 H	-2.528480000	 0.329140000	-5.056880000
 C	-1.466330000	-0.119270000	-3.137840000
 H	-2.465830000	-0.307860000	-2.726500000
 C	 0.390230000	-0.644320000	 0.869030000
 C	 0.738260000	-1.404730000	 1.807760000
 C	 1.237700000	-2.423940000	 2.717410000
 C	 0.597240000	-3.807600000	 2.499770000
 C	 1.269680000	-2.083270000	 4.238530000
 O	 2.537770000	-1.505180000	 4.496520000
 H	 1.255060000	-2.930330000	 4.931910000
 H	 0.457090000	-1.448280000	 4.479990000
 O	 2.712630000	-2.518760000	 2.506840000
 C	 3.325340000	-1.743020000	 3.431770000
 O	 4.442500000	-1.298760000	 3.421580000
 C	 1.256650000	-4.960830000	 2.970450000
 C	-0.820280000	-6.221500000	 2.779780000
 C	 0.592250000	-6.201470000	 2.932170000
 C	-0.776980000	-3.873100000	 2.108470000
 C	-1.433030000	-5.112950000	 2.157260000
 H	-1.163450000	-3.000160000	 1.541940000
 H	 2.222640000	-4.859950000	 3.479780000
 H	 1.099860000	-7.079440000	 3.329340000
 H	-1.379830000	-7.133130000	 2.932410000
 H	-2.230460000	-5.302680000	 1.439940000
 C	 0.151880000	 3.113760000	 1.784790000
 C	 0.753630000	 2.426770000	 2.831190000
 C	-1.227380000	 3.356920000	 1.834050000
 C	 0.021070000	 1.923220000	 3.900460000
 H	 1.827760000	 2.329460000	 2.827660000
 C	-1.990760000	 2.850090000	 2.896160000
 H	-1.700880000	 3.901330000	 1.014970000
 C	-1.359610000	 2.127400000	 3.930220000
 H	 0.578930000	 1.472340000	 4.711830000
 H	-3.069470000	 2.747360000	 2.738070000
 H	-1.975610000	 1.537510000	 4.607420000
 C	-0.635050000	-1.370260000	-2.987710000
 C	-1.265180000	-2.576630000	-2.693460000
 C	 0.745850000	-1.354250000	-3.238580000
 C	-0.522630000	-3.752720000	-2.576320000
 H	-2.354670000	-2.617780000	-2.618070000
 C	 1.494840000	-2.525640000	-3.053540000
 H	 1.223370000	-0.411570000	-3.517560000
 C	 0.868650000	-3.703340000	-2.614290000
 H	-1.033600000	-4.715360000	-2.561850000
 H	 2.579850000	-2.444660000	-2.992490000
 H	 1.451760000	-4.565360000	-2.311220000
 C	-1.806630000	 4.320720000	-2.951110000
 H	-2.238170000	 4.203760000	-3.947730000
 H	-2.543060000	 4.013730000	-2.199600000
 H	-1.574750000	 5.376340000	-2.802890000
 C	 0.540660000	 3.943810000	-3.877110000
 H	 1.441680000	 3.319610000	-3.829350000
 H	 0.124740000	 3.879720000	-4.884230000
 H	 0.808180000	 4.985160000	-3.677950000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


