%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_59

0 1
 C	 0.615190000	 3.359730000	 0.763620000
 H	 1.688840000	 3.237800000	 0.925960000
 N	 0.266180000	 2.689510000	-0.517200000
 O	-0.342680000	 4.823840000	-0.846330000
 Cu	 0.202020000	 0.613100000	-0.640580000
 C	 0.257330000	 4.843440000	 0.484190000
 H	-0.478290000	 5.259770000	 1.173910000
 H	 1.134360000	 5.492410000	 0.445690000
 N	-0.685270000	 0.860010000	-2.490360000
 O	-1.236370000	 1.800630000	-4.450060000
 C	-0.256630000	 3.557590000	-1.299150000
 C	-0.781050000	 3.380920000	-2.709200000
 C	-0.873600000	 1.936170000	-3.160170000
 C	-1.225160000	 0.373890000	-4.749100000
 H	-0.434350000	 0.196960000	-5.483740000
 H	-2.193180000	 0.115130000	-5.177480000
 C	-0.954900000	-0.299220000	-3.383590000
 H	-1.859540000	-0.788370000	-3.009630000
 C	 0.631220000	-0.776760000	 0.546850000
 C	 0.895330000	-1.675900000	 1.353360000
 C	 1.175160000	-2.743910000	 2.264680000
 C	 0.013000000	-3.388330000	 2.970190000
 C	 2.397990000	-2.442320000	 3.114310000
 O	 3.562370000	-2.448460000	 2.292890000
 H	 2.585350000	-3.208020000	 3.849140000
 H	 2.339470000	-1.534220000	 3.671430000
 O	 2.317390000	-4.016400000	 1.337060000
 C	 3.511550000	-3.494890000	 1.398170000
 O	 4.487980000	-3.796380000	 0.758870000
 C	 0.190380000	-4.535210000	 3.755760000
 C	-2.150920000	-4.538850000	 4.361730000
 C	-0.875640000	-5.098700000	 4.466560000
 C	-1.262560000	-2.797710000	 2.937000000
 C	-2.329830000	-3.356550000	 3.638260000
 H	-1.413460000	-1.880200000	 2.376960000
 H	 1.168740000	-5.003580000	 3.828520000
 H	-0.735000000	-6.025050000	 5.023420000
 H	-3.034490000	-5.120230000	 4.700820000
 H	-3.304070000	-2.869160000	 3.624410000
 C	-0.135670000	 2.708470000	 1.910070000
 C	 0.553160000	 2.012570000	 2.907480000
 C	-1.537740000	 2.733380000	 1.938150000
 C	-0.140380000	 1.343920000	 3.922670000
 H	 1.638280000	 1.975580000	 2.880630000
 C	-2.233660000	 2.098140000	 2.966570000
 H	-2.085260000	 3.249840000	 1.153230000
 C	-1.536310000	 1.398000000	 3.957950000
 H	 0.410110000	 0.793290000	 4.681100000
 H	-3.320000000	 2.154390000	 3.000530000
 H	-2.080490000	 0.882300000	 4.745700000
 C	 0.193300000	-1.285230000	-3.361620000
 C	-0.024160000	-2.613490000	-2.979370000
 C	 1.495760000	-0.869040000	-3.667860000
 C	 1.050830000	-3.504780000	-2.852820000
 H	-1.021200000	-2.931990000	-2.690870000
 C	 2.559820000	-1.767560000	-3.603080000
 H	 1.676970000	 0.161210000	-3.952470000
 C	 2.340360000	-3.089040000	-3.199500000
 H	 0.903200000	-4.492650000	-2.407770000
 H	 3.567020000	-1.433640000	-3.842830000
 H	 3.180470000	-3.764310000	-3.048950000
 C	-2.207210000	 3.989670000	-2.794100000
 H	-2.595340000	 3.881150000	-3.809140000
 H	-2.888810000	 3.480560000	-2.102290000
 H	-2.176770000	 5.050700000	-2.537330000
 C	 0.176180000	 4.143090000	-3.666910000
 H	 1.180830000	 3.704090000	-3.642930000
 H	-0.202840000	 4.097730000	-4.689180000
 H	 0.246690000	 5.191190000	-3.362220000

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


