%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_71

0 1
 C	 0.546520000	 3.330510000	 0.797090000
 H	 1.618930000	 3.222460000	 0.970650000
 N	 0.222450000	 2.665040000	-0.495320000
 O	-0.378670000	 4.798120000	-0.830350000
 Cu	 0.174510000	 0.604890000	-0.630490000
 C	 0.172940000	 4.810650000	 0.519400000
 H	-0.593290000	 5.203940000	 1.189420000
 H	 1.040650000	 5.473360000	 0.521470000
 N	-0.700360000	 0.838780000	-2.481440000
 O	-1.183060000	 1.776620000	-4.458910000
 C	-0.282120000	 3.534270000	-1.286170000
 C	-0.768390000	 3.357820000	-2.709780000
 C	-0.860680000	 1.912900000	-3.157940000
 C	-1.218640000	 0.345180000	-4.742120000
 H	-0.467370000	 0.145330000	-5.506980000
 H	-2.209630000	 0.109940000	-5.134450000
 C	-0.927370000	-0.325840000	-3.383780000
 H	-1.813400000	-0.851960000	-3.012630000
 C	 0.587810000	-0.792630000	 0.534260000
 C	 0.838890000	-1.712350000	 1.332690000
 C	 1.077370000	-2.791610000	 2.206070000
 C	-0.066900000	-3.338790000	 2.980110000
 C	 2.440210000	-2.771530000	 2.823920000
 O	 3.475510000	-2.555910000	 1.895070000
 H	 2.692860000	-3.727400000	 3.241700000
 H	 2.516620000	-2.115960000	 3.667820000
 O	 2.507350000	-4.346940000	 0.970190000
 C	 3.552480000	-3.600510000	 0.948250000
 O	 4.554820000	-3.637860000	 0.266360000
 C	 0.078660000	-4.447620000	 3.825180000
 C	-2.237030000	-4.302410000	 4.509630000
 C	-0.980360000	-4.902680000	 4.625790000
 C	-1.300160000	-2.648440000	 3.016400000
 C	-2.359990000	-3.109530000	 3.791360000
 H	-1.412060000	-1.723110000	 2.461360000
 H	 1.039620000	-4.948140000	 3.930440000
 H	-0.839210000	-5.739210000	 5.308670000
 H	-3.076700000	-4.681740000	 5.091290000
 H	-3.293050000	-2.547430000	 3.834440000
 C	-0.208260000	 2.660880000	 1.928280000
 C	 0.477590000	 1.964000000	 2.930500000
 C	-1.612840000	 2.659880000	 1.937650000
 C	-0.218900000	 1.270770000	 3.925430000
 H	 1.561630000	 1.952530000	 2.921220000
 C	-2.311790000	 2.009960000	 2.953060000
 H	-2.157930000	 3.174630000	 1.149180000
 C	-1.618490000	 1.301550000	 3.941480000
 H	 0.326410000	 0.721220000	 4.686640000
 H	-3.399320000	 2.054810000	 2.976410000
 H	-2.162800000	 0.766730000	 4.714930000
 C	 0.264520000	-1.258380000	-3.348190000
 C	 0.128360000	-2.553350000	-2.841150000
 C	 1.533840000	-0.806770000	-3.728760000
 C	 1.252050000	-3.371120000	-2.643680000
 H	-0.842510000	-2.889610000	-2.477640000
 C	 2.642230000	-1.652250000	-3.634010000
 H	 1.657840000	 0.198100000	-4.114910000
 C	 2.502520000	-2.935320000	-3.090740000
 H	 1.179440000	-4.305190000	-2.086130000
 H	 3.619910000	-1.298830000	-3.958180000
 H	 3.382470000	-3.542530000	-2.888040000
 C	-2.188450000	 3.979920000	-2.837210000
 H	-2.545790000	 3.874540000	-3.864600000
 H	-2.892570000	 3.482630000	-2.162860000
 H	-2.153190000	 5.043520000	-2.582010000
 C	 0.225600000	 4.108300000	-3.640220000
 H	 1.220600000	 3.659050000	-3.586180000
 H	-0.126780000	 4.065660000	-4.674760000
 H	 0.294870000	 5.154430000	-3.334180000

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


