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

LCu1R1R2_lli_SP

0 1
 C	 5.667407000	 11.711590000	 3.927454000
 H	 6.460671000	 11.097882000	 3.492180000
 N	 4.409368000	 11.457074000	 3.185060000
 O	 4.726302000	 13.678827000	 2.972071000
 Cu	 2.899804000	 9.747250000	 3.509496000
 C	 5.929417000	 13.222846000	 3.660824000
 H	 6.039101000	 13.817759000	 4.569117000
 H	 6.778687000	 13.399344000	 2.996104000
 N	 2.124062000	 10.396539000	 1.767178000
 O	 1.804709000	 11.785785000	 0.034355000
 C	 3.980722000	 12.578032000	 2.742360000
 C	 2.634476000	 12.828177000	 2.075138000
 C	 2.197208000	 11.593204000	 1.303506000
 C	 1.280681000	 10.510018000	-0.440755000
 H	 1.736896000	 10.299595000	-1.408686000
 H	 0.198891000	 10.620428000	-0.552057000
 C	 1.674517000	 9.504779000	 0.677572000
 H	 0.796397000	 8.950990000	 1.020278000
 C	 3.109674000	 8.648134000	 5.024139000
 C	 3.379108000	 7.917392000	 5.976123000
 C	 3.773012000	 7.001307000	 7.023587000
 C	 5.283328000	 6.834168000	 7.153234000
 C	 3.057570000	 7.313571000	 8.375933000
 O	 1.698135000	 7.662067000	 8.239304000
 H	 3.573053000	 8.175441000	 8.810616000
 H	 3.181080000	 6.460626000	 9.059335000
 C	 5.881663000	 6.442207000	 8.360178000
 C	 8.076797000	 6.519836000	 7.334813000
 C	 7.267938000	 6.297250000	 8.451816000
 C	 6.104934000	 7.051477000	 6.036623000
 C	 7.487299000	 6.891158000	 6.123598000
 H	 5.651978000	 7.367459000	 5.103506000
 H	 5.278723000	 6.247322000	 9.239161000
 H	 7.713270000	 6.003959000	 9.398838000
 H	 9.154898000	 6.402562000	 7.407757000
 H	 8.102983000	 7.065477000	 5.244948000
 C	 5.518738000	 11.358677000	 5.395999000
 C	 6.433479000	 10.506796000	 6.020111000
 C	 4.460722000	 11.890741000	 6.147059000
 C	 6.304366000	 10.194251000	 7.376288000
 H	 7.244006000	 10.071298000	 5.441113000
 C	 4.328110000	 11.581297000	 7.499575000
 H	 3.731038000	 12.539123000	 5.668211000
 C	 5.252498000	 10.732734000	 8.119060000
 H	 7.011908000	 9.514004000	 7.841609000
 H	 3.499529000	 11.993386000	 8.069545000
 H	 5.146251000	 10.486812000	 9.172399000
 C	 2.744856000	 8.513685000	 0.246918000
 C	 2.363529000	 7.406294000	-0.524495000
 C	 4.099773000	 8.699289000	 0.548766000
 C	 3.320354000	 6.505811000	-0.996373000
 H	 1.312292000	 7.250480000	-0.757628000
 C	 5.056013000	 7.789325000	 0.088382000
 H	 4.405992000	 9.547395000	 1.153856000
 C	 4.671796000	 6.695405000	-0.689739000
 H	 3.010832000	 5.653029000	-1.594827000
 H	 6.102822000	 7.938772000	 0.339692000
 H	 5.417372000	 5.992680000	-1.052011000
 H	 1.280158000	 6.954932000	 7.712399000
 C	 1.603467000	 13.060636000	 3.217397000
 H	 1.559387000	 12.191345000	 3.880643000
 H	 1.889612000	 13.942323000	 3.799233000
 H	 0.609976000	 13.232796000	 2.790348000
 C	 2.693952000	 14.064132000	 1.158460000
 H	 3.423870000	 13.935754000	 0.353955000
 H	 1.713528000	 14.242539000	 0.710543000
 H	 2.974911000	 14.941699000	 1.744239000
 S	 3.078493000	 5.262467000	 6.541250000
 O	 1.595302000	 5.403340000	 6.487421000
 O	 3.658646000	 4.249607000	 7.452069000
 C	 3.673813000	 4.949202000	 4.883121000
 C	 2.978277000	 5.488341000	 3.796475000
 C	 4.870182000	 4.245906000	 4.719943000
 C	 3.502008000	 5.317430000	 2.515138000
 H	 2.056814000	 6.034200000	 3.956459000
 C	 5.376661000	 4.074366000	 3.430938000
 H	 5.386942000	 3.843400000	 5.584122000
 C	 4.697811000	 4.615601000	 2.335121000
 H	 2.985565000	 5.741418000	 1.660216000
 H	 6.302861000	 3.525821000	 3.285383000
 H	 5.100908000	 4.494686000	 1.333746000

-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

