%nprocshared=12
%mem=20GB
#p genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=grid=UltraFine empiricaldispersion=gd3 b3lyp

LCu1_Base_CO2_IRC_F_min_SP

1 1
 C	-0.606491000	-3.796458000	-0.540892000
 C	-0.089074000	-4.502901000	 0.696995000
 O	 0.259249000	-3.627506000	 1.739283000
 C	 1.556282000	-3.027745000	 1.669186000
 O	 1.700764000	-2.152971000	 2.563833000
 H	-0.873187000	-5.164557000	 1.083321000
 H	 0.767697000	-5.121690000	 0.397578000
 O	 2.338858000	-3.437711000	 0.807872000
 C	-0.501938000	-2.441339000	-0.593347000
 C	-0.346809000	-1.198727000	-0.623405000
 C	-1.184273000	-4.558714000	-1.635157000
 C	-1.218082000	-5.972574000	-1.605671000
 C	-1.738246000	-3.886910000	-2.751278000
 C	-1.785099000	-6.683335000	-2.657318000
 C	-2.307304000	-4.603378000	-3.794869000
 C	-2.332273000	-6.003207000	-3.751333000
 H	-0.794299000	-6.516451000	-0.768770000
 H	-1.724944000	-2.802425000	-2.776629000
 H	-1.801994000	-7.768618000	-2.627126000
 H	-2.734039000	-4.076350000	-4.643151000
 H	-2.777751000	-6.563128000	-4.568799000
 Cu	-0.113662000	 0.634823000	-0.780739000
 N	-1.363215000	 2.260597000	-0.621026000
 N	 1.317486000	 1.863180000	-1.536038000
 C	-2.819470000	 2.117733000	-0.353999000
 C	-1.140709000	 3.460002000	-1.023464000
 C	 2.682367000	 1.387676000	-1.915228000
 C	 1.270446000	 3.130287000	-1.736932000
 C	-3.388644000	 3.473828000	-0.840213000
 O	-2.200850000	 4.278934000	-1.112913000
 C	 3.221711000	 2.588606000	-2.713938000
 O	 2.352651000	 3.691846000	-2.305758000
 H	-3.952660000	 3.394690000	-1.772895000
 H	-3.982175000	 3.995311000	-0.088686000
 H	 3.095703000	 2.459247000	-3.792367000
 H	 4.250945000	 2.867344000	-2.491497000
 H	 2.573121000	 0.505168000	-2.548315000
 H	-2.943956000	 2.012846000	 0.727656000
 C	 0.190384000	 4.119504000	-1.338128000
 C	 0.005991000	 5.167740000	-2.460284000
 C	 0.672976000	 4.815525000	-0.030347000
 H	-0.341125000	 4.696299000	-3.385732000
 H	 0.955851000	 5.667455000	-2.657984000
 H	-0.726388000	 5.916950000	-2.154891000
 H	 0.829596000	 4.081092000	 0.765862000
 H	-0.076044000	 5.542881000	 0.296480000
 H	 1.612708000	 5.342283000	-0.218718000
 C	-3.388325000	 0.889860000	-1.034366000
 C	-4.085672000	-0.068650000	-0.292629000
 C	-3.175950000	 0.671796000	-2.403500000
 C	-4.558313000	-1.234007000	-0.903228000
 C	-3.647843000	-0.489388000	-3.015570000
 C	-4.337323000	-1.448122000	-2.265044000
 H	-4.253521000	 0.092699000	 0.768997000
 H	-2.624754000	 1.406388000	-2.985831000
 H	-5.092924000	-1.973825000	-0.313572000
 H	-3.472411000	-0.650681000	-4.075967000
 H	-4.694855000	-2.357559000	-2.739520000
 C	 3.440401000	 1.022378000	-0.651831000
 C	 3.423772000	-0.300581000	-0.195119000
 C	 4.081838000	 2.002208000	 0.120745000
 C	 4.047680000	-0.649320000	 1.005095000
 C	 4.716857000	 1.655179000	 1.314527000
 C	 4.701593000	 0.328537000	 1.757670000
 H	 2.898369000	-1.066758000	-0.759300000
 H	 4.085621000	 3.040420000	-0.201550000
 H	 3.979606000	-1.675052000	 1.346958000
 H	 5.218904000	 2.421598000	 1.899659000
 H	 5.192650000	 0.061227000	 2.689938000
 H	 0.459435000	-1.254713000	 3.120294000
 N	-0.096918000	-0.495295000	 3.623351000
 C	-0.340231000	-1.053468000	 5.004445000
 H	-0.894564000	-0.313880000	 5.584356000
 H	-0.979007000	-1.925792000	 4.869797000
 C	-1.374371000	-0.306422000	 2.802672000
 H	-1.008359000	-0.095938000	 1.796289000
 C	 0.905533000	 0.669820000	 3.609980000
 H	 1.839543000	 0.177272000	 3.888893000
 C	-2.167387000	-1.614335000	 2.729022000
 H	-2.758647000	-1.792083000	 3.633340000
 H	-2.862416000	-1.537827000	 1.887016000
 H	-1.513267000	-2.469937000	 2.544252000
 C	-2.247274000	 0.852740000	 3.280016000
 H	-3.197385000	 0.812763000	 2.737420000
 H	-2.478335000	 0.781443000	 4.347613000
 H	-1.794617000	 1.827039000	 3.083684000
 C	 1.089305000	 1.205289000	 2.193607000
 H	 1.952083000	 1.876786000	 2.185351000
 H	 1.302760000	 0.394056000	 1.493705000
 H	 0.219368000	 1.768839000	 1.841618000
 C	 0.622069000	 1.780623000	 4.620809000
 H	 0.509524000	 1.410923000	 5.643454000
 H	 1.483774000	 2.457223000	 4.614189000
 H	-0.260708000	 2.370604000	 4.366332000
 C	 0.944358000	-1.484250000	 5.706494000
 H	 1.573741000	-0.639495000	 6.000506000
 H	 0.671878000	-2.028174000	 6.617261000
 H	 1.527218000	-2.151263000	 5.064502000

-C -H -F 0
cc-pvtz
****
-O -N -S 0
aug-cc-pvtz
****
-Cu     0
S   1   1.00
8.1760000              1.0000000
S   1   1.00
2.5680000              1.0000000
S   1   1.00
0.9587000              1.0000000
S   1   1.00
0.1153000              1.0000000
S   1   1.00
0.0396000              1.0000000
P   1   1.00
25.6300000              1.0000000
P   1   1.00
3.1660000              1.0000000
P   1   1.00
1.0230000              1.0000000
P   1   1.00
0.0860000              1.0000000
P   1   1.00
0.0240000              1.0000000
D   3   1.00
41.3400000              0.0465424
11.4200000              0.2227824
3.8390000              0.4539059
D   1   1.00
1.2300000              1.0000000
D   1   1.00
0.3102000              1.0000000
D   1   1.00
0.1010000              1.0000000
****

-CU     0
CU-ECP     2     10
d potential
3
1    511.9951763            -10.0000000
2     93.2801074            -72.5548282
2     23.2206669            -12.7450231
s-d potential
4
0    173.1180854              3.0000000
1    185.2419886             23.8351825
2     73.1517847            473.8930488
2     14.6884157            157.6345823
p-d potential
4
0    100.7191369              5.0000000
1    130.8345665              6.4990936
2     53.8683720            351.4605395
2     14.0989469             85.5016036

