%nprocshared=20
%mem=40GB
#p genecp scf=xqc nosymm guess=always Int=grid=UltraFine empiricaldispersion=gd3 b3lyp

ProductR_nobase_opt_SP

1 1
 C	-0.192761000	 3.750507000	-1.037211000
 H	-1.146138000	 3.692843000	-1.569047000
 N	-0.264189000	 2.857885000	 0.149259000
 O	 0.172110000	 4.878039000	 1.017035000
 Cu	-0.076392000	 0.795572000	 0.071902000
 C	-0.007302000	 5.155134000	-0.402478000
 H	-0.888887000	 5.791275000	-0.506685000
 H	 0.880118000	 5.683604000	-0.753901000
 N	-0.295386000	 0.701195000	 2.071677000
 O	-0.318588000	 1.378274000	 4.203479000
 C	-0.022380000	 3.562757000	 1.197314000
 C	 0.132147000	 3.134172000	 2.643482000
 C	-0.184351000	 1.675952000	 2.900721000
 C	-0.398142000	-0.075878000	 4.292119000
 H	 0.567761000	-0.434480000	 4.658501000
 H	-1.189620000	-0.326180000	 4.998293000
 C	-0.679278000	-0.505566000	 2.834057000
 H	-0.018276000	-1.321273000	 2.536507000
 C	 0.074032000	 0.228736000	-1.865808000
 C	 0.623120000	-0.710895000	-1.283308000
 C	 1.464992000	-1.897665000	-1.080603000
 C	 0.726579000	-3.104342000	-0.532897000
 C	 2.215039000	-2.182905000	-2.431078000
 O	 2.688751000	-1.040400000	-3.095401000
 H	 3.022079000	-2.901829000	-2.237477000
 H	 1.490570000	-2.667530000	-3.091476000
 C	 1.254718000	-4.397580000	-0.681317000
 C	-0.635016000	-5.331880000	 0.509779000
 C	 0.576354000	-5.501384000	-0.163324000
 C	-0.488526000	-2.944074000	 0.147936000
 C	-1.166164000	-4.049160000	 0.662794000
 H	-0.910479000	-1.952564000	 0.270384000
 H	 2.200988000	-4.556396000	-1.185231000
 H	 1.000660000	-6.493791000	-0.286590000
 H	-1.162513000	-6.193043000	 0.910669000
 H	-2.107478000	-3.901630000	 1.182083000
 C	 0.926174000	 3.334764000	-1.975283000
 C	 0.736923000	 3.400399000	-3.361028000
 C	 2.147200000	 2.863842000	-1.474907000
 C	 1.749569000	 2.994201000	-4.233817000
 H	-0.209699000	 3.760363000	-3.758017000
 C	 3.156033000	 2.448289000	-2.345046000
 H	 2.298530000	 2.786385000	-0.401913000
 C	 2.959078000	 2.511490000	-3.727137000
 H	 1.588148000	 3.043280000	-5.307293000
 H	 4.085327000	 2.059171000	-1.939902000
 H	 3.739961000	 2.178614000	-4.405213000
 C	-2.125447000	-0.906012000	 2.576205000
 C	-2.611637000	-2.074242000	 3.182144000
 C	-2.982982000	-0.157615000	 1.761922000
 C	-3.929127000	-2.485357000	 2.979478000
 H	-1.950479000	-2.666224000	 3.811584000
 C	-4.301207000	-0.574973000	 1.549560000
 H	-2.624129000	 0.754019000	 1.293856000
 C	-4.778197000	-1.737631000	 2.156377000
 H	-4.291585000	-3.391212000	 3.458160000
 H	-4.954847000	 0.015660000	 0.912901000
 H	-5.803276000	-2.058998000	 1.993523000
 H	 3.215980000	-0.520520000	-2.460337000
 C	-0.798454000	 4.014105000	 3.519544000
 H	-1.849894000	 3.853361000	 3.258606000
 H	-0.556562000	 5.067867000	 3.368904000
 H	-0.658348000	 3.769197000	 4.573825000
 C	 1.618148000	 3.361274000	 3.047341000
 H	 2.287494000	 2.756766000	 2.426094000
 H	 1.758354000	 3.078650000	 4.094138000
 H	 1.877563000	 4.416091000	 2.928416000
 S	 2.794847000	-1.351476000	 0.193994000
 O	 3.605158000	-0.310954000	-0.490930000
 O	 2.114225000	-1.022478000	 1.461304000
 C	 3.836706000	-2.775633000	 0.482737000
 C	 4.953177000	-2.981796000	-0.333168000
 C	 3.501514000	-3.652610000	 1.518772000
 C	 5.746874000	-4.106445000	-0.106393000
 H	 5.200682000	-2.273833000	-1.116945000
 C	 4.307300000	-4.769783000	 1.733877000
 H	 2.633215000	-3.461907000	 2.139333000
 C	 5.421799000	-4.997858000	 0.920659000
 H	 6.620059000	-4.282307000	-0.727292000
 H	 4.063558000	-5.461314000	 2.534654000
 H	 6.043356000	-5.872047000	 1.092079000
 H	-0.306282000	 0.881297000	-2.629425000

-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


