%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_75

0 1
 C	 0.520830000	 3.319580000	 0.807640000
 H	 1.593770000	 3.215390000	 0.986500000
 N	 0.208710000	 2.653670000	-0.485370000
 O	-0.388640000	 4.786550000	-0.829590000
 Cu	 0.161580000	 0.600060000	-0.622200000
 C	 0.144110000	 4.798200000	 0.529180000
 H	-0.634730000	 5.186550000	 1.187700000
 H	 1.006100000	 5.468040000	 0.542940000
 N	-0.708200000	 0.827300000	-2.475300000
 O	-1.166560000	 1.760120000	-4.459690000
 C	-0.290340000	 3.522620000	-1.282920000
 C	-0.764430000	 3.347320000	-2.712100000
 C	-0.858190000	 1.900380000	-3.157300000
 C	-1.223910000	 0.329100000	-4.736580000
 H	-0.486730000	 0.115020000	-5.511490000
 H	-2.224000000	 0.102650000	-5.111020000
 C	-0.919500000	-0.339380000	-3.376300000
 H	-1.796390000	-0.881110000	-3.006910000
 C	 0.578560000	-0.791300000	 0.543510000
 C	 0.822720000	-1.720200000	 1.338800000
 C	 1.039690000	-2.799630000	 2.198620000
 C	-0.096130000	-3.310350000	 2.999850000
 C	 2.434110000	-2.924990000	 2.714030000
 O	 3.434130000	-2.616920000	 1.775590000
 H	 2.646750000	-3.950590000	 2.976680000
 H	 2.580220000	-2.399920000	 3.640590000
 O	 2.611130000	-4.461220000	 0.793330000
 C	 3.581140000	-3.624110000	 0.780630000
 O	 4.582460000	-3.532200000	 0.090140000
 C	 0.040150000	-4.414290000	 3.856480000
 C	-2.260750000	-4.205820000	 4.576710000
 C	-1.011840000	-4.828900000	 4.688150000
 C	-1.306470000	-2.580350000	 3.063840000
 C	-2.366500000	-3.010200000	 3.858780000
 H	-1.402640000	-1.653810000	 2.509630000
 H	 0.994360000	-4.922040000	 3.971370000
 H	-0.875140000	-5.650740000	 5.388320000
 H	-3.094530000	-4.550230000	 5.186500000
 H	-3.279130000	-2.418740000	 3.917900000
 C	-0.236730000	 2.646250000	 1.935790000
 C	 0.448090000	 1.953520000	 2.940420000
 C	-1.639200000	 2.637960000	 1.936540000
 C	-0.250040000	 1.256050000	 3.931160000
 H	 1.533630000	 1.948710000	 2.938930000
 C	-2.340710000	 1.979340000	 2.945580000
 H	-2.184490000	 3.150270000	 1.146620000
 C	-1.647950000	 1.277020000	 3.939070000
 H	 0.293290000	 0.707870000	 4.695250000
 H	-3.428220000	 2.015350000	 2.961470000
 H	-2.195850000	 0.735450000	 4.706250000
 C	 0.289130000	-1.249850000	-3.336780000
 C	 0.189080000	-2.526800000	-2.775440000
 C	 1.544140000	-0.786800000	-3.754270000
 C	 1.333380000	-3.309750000	-2.565140000
 H	-0.769250000	-2.868070000	-2.389140000
 C	 2.670670000	-1.601940000	-3.641990000
 H	 1.640520000	 0.206130000	-4.180660000
 C	 2.569050000	-2.864290000	-3.043920000
 H	 1.289300000	-4.225800000	-1.973210000
 H	 3.633650000	-1.248890000	-4.007450000
 H	 3.462080000	-3.447720000	-2.831960000
 C	-2.177050000	 3.976640000	-2.855780000
 H	-2.524530000	 3.868730000	-3.886140000
 H	-2.892700000	 3.483680000	-2.189490000
 H	-2.139480000	 5.039410000	-2.605360000
 C	 0.244200000	 4.088510000	-3.632330000
 H	 1.237410000	 3.632990000	-3.566550000
 H	-0.095690000	 4.044820000	-4.669840000
 H	 0.318530000	 5.135680000	-3.328260000

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


