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

TS_ProductS_base

1 1
 C	 4.282724000	 12.371804000	 5.446287000
 H	 5.108429000	 11.801949000	 5.876383000
 N	 3.729788000	 11.577745000	 4.321122000
 O	 4.353620000	 13.506751000	 3.359123000
 Cu	 3.373993000	 9.524046000	 4.454199000
 C	 4.796173000	 13.655509000	 4.740921000
 H	 4.367699000	 14.579891000	 5.131626000
 H	 5.886170000	 13.727456000	 4.731635000
 N	 3.178207000	 9.468317000	 2.399314000
 O	 2.632606000	 10.217585000	 0.358838000
 C	 3.809843000	 12.277233000	 3.252146000
 C	 3.299753000	 11.953687000	 1.860810000
 C	 3.036791000	 10.478512000	 1.617671000
 C	 2.324514000	 8.794415000	 0.305990000
 H	 2.738530000	 8.394757000	-0.619724000
 H	 1.235648000	 8.690422000	 0.309893000
 C	 2.981079000	 8.243876000	 1.594051000
 H	 2.291417000	 7.580207000	 2.123097000
 C	 2.491194000	 8.566637000	 6.044906000
 C	 3.582313000	 8.083776000	 6.367062000
 C	 4.845307000	 7.504556000	 6.795240000
 C	 5.221980000	 6.237901000	 6.040884000
 C	 4.890402000	 7.361216000	 8.349299000
 O	 4.331806000	 8.448745000	 9.044717000
 H	 5.927070000	 7.171708000	 8.661123000
 H	 4.299762000	 6.476367000	 8.602772000
 C	 6.011136000	 5.241893000	 6.636988000
 C	 6.001586000	 3.968914000	 4.577076000
 C	 6.392281000	 4.113377000	 5.909920000
 C	 4.830963000	 6.081548000	 4.703221000
 C	 5.219253000	 4.957649000	 3.975686000
 H	 4.233365000	 6.849221000	 4.225236000
 H	 6.348811000	 5.340627000	 7.662296000
 H	 7.002082000	 3.351372000	 6.387193000
 H	 6.305601000	 3.093197000	 4.010086000
 H	 4.917445000	 4.864715000	 2.937636000
 C	 3.229938000	 12.605400000	 6.512159000
 C	 3.398886000	 12.077484000	 7.796370000
 C	 2.076253000	 13.349301000	 6.226095000
 C	 2.441607000	 12.305736000	 8.788584000
 H	 4.286878000	 11.492592000	 8.016207000
 C	 1.116744000	 13.575449000	 7.213485000
 H	 1.927690000	 13.753796000	 5.227372000
 C	 1.300473000	 13.057632000	 8.500534000
 H	 2.586857000	 11.892515000	 9.782763000
 H	 0.227432000	 14.155256000	 6.980879000
 H	 0.555453000	 13.236415000	 9.271164000
 C	 4.298372000	 7.516349000	 1.348962000
 C	 4.284266000	 6.336065000	 0.590250000
 C	 5.518131000	 7.994202000	 1.840605000
 C	 5.470495000	 5.655215000	 0.312544000
 H	 3.339736000	 5.953761000	 0.208396000
 C	 6.706008000	 7.309014000	 1.565253000
 H	 5.539802000	 8.888089000	 2.453331000
 C	 6.687917000	 6.141855000	 0.800180000
 H	 5.444202000	 4.744895000	-0.280520000
 H	 7.646122000	 7.692749000	 1.952958000
 H	 7.612375000	 5.612046000	 0.586897000
 H	 4.851943000	 9.234721000	 8.795681000
 C	 1.974211000	 12.739009000	 1.662314000
 H	 1.218033000	 12.409761000	 2.381409000
 H	 2.156217000	 13.807645000	 1.805748000
 H	 1.595265000	 12.579469000	 0.649736000
 C	 4.351592000	 12.411087000	 0.813472000
 H	 5.295300000	 11.871608000	 0.948450000
 H	 3.979068000	 12.220261000	-0.194879000
 H	 4.541565000	 13.480460000	 0.922108000
 S	 6.161332000	 8.855514000	 6.332992000
 O	 6.127277000	 9.887237000	 7.407083000
 O	 5.901107000	 9.284564000	 4.937549000
 C	 7.751595000	 8.044519000	 6.371524000
 C	 8.490441000	 8.056246000	 7.557213000
 C	 8.191163000	 7.376800000	 5.223995000
 C	 9.709966000	 7.378227000	 7.587515000
 H	 8.127130000	 8.593366000	 8.426755000
 C	 9.410368000	 6.704233000	 5.273162000
 H	 7.587400000	 7.373500000	 4.323611000
 C	 10.164947000	 6.703064000	 6.451194000
 H	 10.302815000	 7.380036000	 8.497181000
 H	 9.767487000	 6.177492000	 4.393298000
 H	 11.113151000	 6.174108000	 6.482980000
 H	 1.167449000	 8.801199000	 6.139207000
 N	-0.125982000	 8.967385000	 6.291644000
 C	-0.604950000	 9.505455000	 4.964102000
 C	-0.196608000	 9.955221000	 7.431737000
 C	-0.609999000	 7.585833000	 6.582330000
 H	-1.695077000	 9.608928000	 5.009528000
 C	-0.250552000	 8.530662000	 3.829565000
 C	 0.001801000	 10.880805000	 4.658647000
 H	 0.462225000	 10.767064000	 7.115285000
 C	 0.415130000	 9.386648000	 8.716380000
 C	-1.585927000	 10.541523000	 7.703707000
 H	-0.106641000	 6.926007000	 5.869044000
 H	-0.221115000	 7.310720000	 7.563040000
 C	-2.118631000	 7.345391000	 6.531338000
 H	-0.771717000	 7.573157000	 3.910369000
 H	-0.541195000	 8.980768000	 2.874557000
 H	 0.827581000	 8.341752000	 3.800796000
 H	-0.330657000	 11.660929000	 5.346676000
 H	 1.095472000	 10.848835000	 4.678712000
 H	-0.311624000	 11.179463000	 3.652605000
 H	 1.407963000	 8.958181000	 8.546633000
 H	 0.530169000	 10.208670000	 9.429605000
 H	-0.225120000	 8.633312000	 9.187852000
 H	-2.071647000	 10.922065000	 6.800276000
 H	-2.251841000	 9.808783000	 8.169370000
 H	-1.479274000	 11.381645000	 8.399513000
 H	-2.310310000	 6.286779000	 6.742395000
 H	-2.658029000	 7.936228000	 7.276010000
 H	-2.541829000	 7.566238000	 5.546313000

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

-Cu 0
LANL2DZ

