%nprocshared=24
%mem=120GB
#p opt=(calcfc,noeigentest,ts,maxstep=3) freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

TS_ProductR_base_fromS

1 1
 C	 5.148928000	 12.474678000	-5.262408000
 H	 4.536008000	 12.352366000	-6.156218000
 N	 4.509183000	 11.746507000	-4.130179000
 O	 4.850823000	 13.822466000	-3.345474000
 Cu	 3.570541000	 9.842504000	-4.241969000
 C	 5.122330000	 13.940445000	-4.772174000
 H	 4.309803000	 14.520416000	-5.218589000
 H	 6.068407000	 14.469730000	-4.890700000
 N	 3.445291000	 9.866939000	-2.154433000
 O	 3.797377000	 10.565142000	-0.050659000
 C	 4.462416000	 12.547276000	-3.129514000
 C	 4.066408000	 12.285006000	-1.689174000
 C	 3.772987000	 10.829200000	-1.371476000
 C	 3.508825000	 9.147476000	 0.110098000
 H	 4.407440000	 8.669803000	 0.507912000
 H	 2.690297000	 9.053091000	 0.825796000
 C	 3.154655000	 8.668738000	-1.322732000
 H	 3.828985000	 7.879973000	-1.649080000
 C	 3.069059000	 8.858303000	-5.925868000
 C	 3.975102000	 8.034030000	-5.750244000
 C	 4.955690000	 6.950398000	-5.759209000
 C	 4.317247000	 5.587365000	-5.522154000
 C	 5.822866000	 7.027625000	-7.056644000
 O	 6.187760000	 8.328286000	-7.436699000
 H	 6.700830000	 6.376511000	-6.941552000
 H	 5.211156000	 6.616509000	-7.865132000
 C	 4.857315000	 4.419202000	-6.080366000
 C	 3.147471000	 3.084318000	-5.002892000
 C	 4.271235000	 3.177397000	-5.825413000
 C	 3.190531000	 5.484284000	-4.692227000
 C	 2.609805000	 4.243378000	-4.436068000
 H	 2.772180000	 6.378612000	-4.246009000
 H	 5.740563000	 4.459340000	-6.707334000
 H	 4.700710000	 2.283449000	-6.268938000
 H	 2.692494000	 2.117361000	-4.805971000
 H	 1.733114000	 4.184939000	-3.797873000
 C	 6.534060000	 11.920101000	-5.531358000
 C	 6.833878000	 11.340494000	-6.767206000
 C	 7.530977000	 11.984904000	-4.547974000
 C	 8.111224000	 10.830010000	-7.021103000
 H	 6.064094000	 11.278024000	-7.532064000
 C	 8.804824000	 11.476853000	-4.797923000
 H	 7.311535000	 12.435555000	-3.582419000
 C	 9.097721000	 10.895624000	-6.035830000
 H	 8.326327000	 10.373824000	-7.983368000
 H	 9.568992000	 11.531450000	-4.026965000
 H	 10.090429000	 10.497996000	-6.229794000
 C	 1.723026000	 8.194124000	-1.468651000
 C	 1.456658000	 6.846122000	-1.736880000
 C	 0.649564000	 9.072983000	-1.269504000
 C	 0.139970000	 6.380291000	-1.799588000
 H	 2.283568000	 6.157509000	-1.889223000
 C	-0.665818000	 8.611697000	-1.335313000
 H	 0.844043000	 10.122770000	-1.063127000
 C	-0.923933000	 7.262101000	-1.598183000
 H	-0.052649000	 5.330578000	-2.005229000
 H	-1.489164000	 9.304234000	-1.181163000
 H	-1.948223000	 6.903039000	-1.648922000
 H	 6.606395000	 8.770333000	-6.675795000
 C	 2.777684000	 13.093798000	-1.372139000
 H	 1.952673000	 12.781563000	-2.019504000
 H	 2.962749000	 14.160112000	-1.525779000
 H	 2.489043000	 12.934015000	-0.329501000
 C	 5.231201000	 12.776448000	-0.787208000
 H	 6.141310000	 12.197272000	-0.976929000
 H	 4.960218000	 12.665408000	 0.263898000
 H	 5.436264000	 13.829289000	-0.988286000
 S	 6.135852000	 7.288694000	-4.286695000
 O	 6.914553000	 8.503649000	-4.639945000
 O	 5.347673000	 7.271828000	-3.037802000
 C	 7.264740000	 5.898725000	-4.242071000
 C	 8.472511000	 5.981585000	-4.941008000
 C	 6.905413000	 4.760136000	-3.514767000
 C	 9.338168000	 4.887697000	-4.912065000
 H	 8.730001000	 6.884107000	-5.485061000
 C	 7.782064000	 3.676019000	-3.495400000
 H	 5.963047000	 4.726612000	-2.979615000
 C	 8.991862000	 3.739207000	-4.193953000
 H	 10.282428000	 4.935130000	-5.446067000
 H	 7.519649000	 2.783346000	-2.935571000
 H	 9.670037000	 2.890768000	-4.175446000
 H	 1.859785000	 9.362851000	-6.286841000
 N	 0.628806000	 9.794639000	-6.452420000
 C	 0.535200000	 11.087585000	-5.674322000
 C	-0.465264000	 8.770798000	-6.199924000
 C	 0.868588000	 9.973184000	-7.915742000
 H	-0.442475000	 11.538023000	-5.878245000
 C	 1.623841000	 12.078759000	-6.108892000
 C	 0.666542000	 10.830255000	-4.167367000
 H	-0.527015000	 8.216328000	-7.141607000
 C	-1.853793000	 9.366184000	-5.937469000
 C	-0.070270000	 7.753082000	-5.120313000
 H	 1.819667000	 10.498521000	-8.026998000
 H	 1.038039000	 8.969133000	-8.316202000
 C	-0.223967000	 10.677843000	-8.714562000
 H	 1.507497000	 12.422078000	-7.138718000
 H	 1.567235000	 12.962401000	-5.464162000
 H	 2.623456000	 11.647037000	-5.996502000
 H	-0.154058000	 10.238274000	-3.759234000
 H	 1.609514000	 10.321931000	-3.938741000
 H	 0.665411000	 11.791951000	-3.643393000
 H	-2.142267000	 10.097130000	-6.697795000
 H	-2.589022000	 8.553901000	-5.960130000
 H	-1.925382000	 9.844338000	-4.956081000
 H	 0.906587000	 7.304925000	-5.320477000
 H	-0.040843000	 8.190707000	-4.119891000
 H	-0.815116000	 6.948691000	-5.108156000
 H	 0.110200000	 10.784794000	-9.753242000
 H	-1.156134000	 10.104589000	-8.725106000
 H	-0.437701000	 11.679425000	-8.327583000

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

-Cu 0
LANL2DZ


