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

LCu1_R1H_v1c

1 1
 C	 4.421600000	 11.890205000	 5.494756000
 H	 4.583087000	 11.049303000	 6.172244000
 N	 3.623087000	 11.406692000	 4.337230000
 O	 5.507884000	 12.184862000	 3.411607000
 Cu	 1.785865000	 10.567823000	 4.419815000
 C	 5.763012000	 12.312386000	 4.838753000
 H	 6.041735000	 13.347916000	 5.036375000
 H	 6.591450000	 11.645708000	 5.087773000
 N	 1.705630000	 10.381048000	 2.395701000
 O	 2.366754000	 10.507996000	 0.261747000
 C	 4.296716000	 11.632937000	 3.261686000
 C	 3.952960000	 11.394145000	 1.803301000
 C	 2.612064000	 10.737898000	 1.558360000
 C	 1.062437000	 9.861911000	 0.168700000
 H	 1.208821000	 8.890661000	-0.307538000
 H	 0.423107000	 10.491406000	-0.452503000
 C	 0.585714000	 9.762413000	 1.643080000
 H	-0.304866000	 10.376975000	 1.803391000
 C	 0.097069650	 10.535424390	 5.529139110
 C	 0.563786570	 9.396527310	 5.650023580
 C	 0.604551960	 8.068777120	 6.314306060
 C	 1.847623890	 7.263115970	 5.972368110
 C	-0.732042790	 7.302126840	 6.167287630
 O	-1.246481030	 7.266546500	 7.510462480
 H	-0.580815480	 6.279935770	 5.815207790
 H	-1.447013570	 7.817018290	 5.531575520
 O	 0.342031260	 8.833053530	 7.536545140
 C	-0.665542760	 8.252378770	 8.234552980
 O	-0.991959440	 8.581241910	 9.341033040
 C	 2.095778790	 6.082953960	 6.689534050
 C	 4.144261680	 5.748252340	 5.447254800
 C	 3.238049820	 5.330080170	 6.427141400
 C	 2.754368900	 7.677777880	 4.993749080
 C	 3.898738500	 6.920134830	 4.732156180
 H	 2.572624360	 8.589728880	 4.434749100
 H	 1.406047730	 5.763111700	 7.465296720
 H	 3.423537980	 4.420247920	 6.990987620
 H	 5.035425430	 5.161100120	 5.243810650
 H	 4.594941810	 7.249506430	 3.966367520
 H	-0.526331550	 11.409584290	 5.582123640
 C	 3.728899000	 13.014476000	 6.236753000
 C	 3.789858000	 13.067658000	 7.633733000
 C	 3.086786000	 14.047582000	 5.539491000
 C	 3.220331000	 14.137721000	 8.328173000
 H	 4.288174000	 12.270591000	 8.179813000
 C	 2.521585000	 15.118533000	 6.232246000
 H	 3.030716000	 14.016400000	 4.454405000
 C	 2.587922000	 15.166366000	 7.628051000
 H	 3.264113000	 14.161907000	 9.413214000
 H	 2.024865000	 15.914310000	 5.683773000
 H	 2.137939000	 15.995178000	 8.166366000
 C	 0.299853000	 8.348260000	 2.107757000
 C	-1.018118000	 7.875554000	 2.121619000
 C	 1.336435000	 7.502198000	 2.522652000
 C	-1.297989000	 6.573984000	 2.545965000
 H	-1.827908000	 8.530015000	 1.806160000
 C	 1.056751000	 6.203278000	 2.951427000
 H	 2.360604000	 7.865517000	 2.522290000
 C	-0.261143000	 5.736653000	 2.965341000
 H	-2.324738000	 6.218846000	 2.556068000
 H	 1.867076000	 5.556419000	 3.276860000
 H	-0.478467000	 4.727014000	 3.302529000
 C	 3.949590000	 12.772682000	 1.082742000
 H	 3.745685000	 12.629432000	 0.019236000
 H	 3.182498000	 13.431649000	 1.503439000
 H	 4.925296000	 13.250428000	 1.193433000
 C	 5.050557000	 10.477390000	 1.193180000
 H	 5.063953000	 9.501991000	 1.691168000
 H	 4.855356000	 10.327267000	 0.129428000
 H	 6.029743000	 10.945895000	 1.309057000

-C -N -O -H -S -F 0
6-31g(d)
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ


