%nprocshared=8
%mem=20GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

TS_ProductR_base_IRC_R_min

1 1
 C	 0.058622000	 3.666656000	-1.246528000
 H	-0.779828000	 3.461627000	-1.916302000
 N	-0.203455000	 3.009153000	 0.052723000
 O	 0.169952000	 5.157848000	 0.585589000
 Cu	-0.233643000	 0.889602000	 0.335098000
 C	 0.096868000	 5.171903000	-0.868957000
 H	-0.816669000	 5.703756000	-1.149417000
 H	 0.970963000	 5.704104000	-1.245547000
 N	-0.225185000	 1.206110000	 2.339590000
 O	-0.417024000	 2.244519000	 4.315439000
 C	-0.076310000	 3.891751000	 0.975546000
 C	-0.202765000	 3.749091000	 2.478320000
 C	-0.271592000	 2.319392000	 2.979263000
 C	-0.351736000	 0.833178000	 4.674307000
 H	 0.598529000	 0.667881000	 5.188892000
 H	-1.183861000	 0.619997000	 5.346104000
 C	-0.431991000	 0.101495000	 3.312960000
 H	 0.383211000	-0.609756000	 3.192423000
 C	-0.698462000	-0.108146000	-1.352198000
 C	 0.189089000	-0.934762000	-1.169728000
 C	 1.162515000	-2.015279000	-1.178554000
 C	 0.510518000	-3.371350000	-0.947014000
 C	 2.018901000	-1.929259000	-2.485077000
 O	 2.375300000	-0.626129000	-2.861849000
 H	 2.898364000	-2.578743000	-2.376045000
 H	 1.401264000	-2.338830000	-3.289404000
 C	 1.049153000	-4.537982000	-1.508222000
 C	-0.661135000	-5.871138000	-0.430557000
 C	 0.462471000	-5.778941000	-1.253420000
 C	-0.617763000	-3.471527000	-0.118810000
 C	-1.199424000	-4.712325000	 0.135893000
 H	-1.036939000	-2.578908000	 0.330288000
 H	 1.932535000	-4.497245000	-2.134872000
 H	 0.891368000	-6.672992000	-1.697035000
 H	-1.116150000	-6.837948000	-0.233468000
 H	-2.076687000	-4.770575000	 0.773096000
 C	 1.342055000	 3.170911000	-1.890616000
 C	 1.509795000	 3.326195000	-3.273797000
 C	 2.383416000	 2.619360000	-1.135971000
 C	 2.702079000	 2.945988000	-3.890605000
 H	 0.701787000	 3.745345000	-3.868944000
 C	 3.577499000	 2.236168000	-1.753572000
 H	 2.257756000	 2.467568000	-0.068683000
 C	 3.740901000	 2.400093000	-3.130538000
 H	 2.817315000	 3.068283000	-4.964273000
 H	 4.369577000	 1.794201000	-1.156261000
 H	 4.666648000	 2.095785000	-3.611203000
 C	-1.754711000	-0.593850000	 3.052777000
 C	-1.804480000	-1.982710000	 2.893791000
 C	-2.946800000	 0.143986000	 2.993172000
 C	-3.028495000	-2.628371000	 2.692319000
 H	-0.882964000	-2.557958000	 2.920337000
 C	-4.167771000	-0.497954000	 2.785443000
 H	-2.921146000	 1.224726000	 3.111175000
 C	-4.211194000	-1.888594000	 2.636985000
 H	-3.055772000	-3.708636000	 2.582567000
 H	-5.084235000	 0.084043000	 2.739726000
 H	-5.161664000	-2.390182000	 2.477281000
 H	 2.821116000	-0.192239000	-2.111688000
 C	-1.516479000	 4.468705000	 2.898917000
 H	-2.387384000	 3.983204000	 2.444768000
 H	-1.483446000	 5.510761000	 2.571414000
 H	-1.624769000	 4.443444000	 3.985407000
 C	 1.018985000	 4.433527000	 3.150716000
 H	 1.952564000	 3.947219000	 2.847815000
 H	 0.925176000	 4.368278000	 4.236725000
 H	 1.061369000	 5.485864000	 2.863229000
 S	 2.333601000	-1.669735000	 0.289454000
 O	 3.104778000	-0.452560000	-0.068713000
 O	 1.537490000	-1.683397000	 1.532500000
 C	 3.458037000	-3.058070000	 0.331639000
 C	 4.664922000	-2.974343000	-0.368727000
 C	 3.096808000	-4.196502000	 1.058263000
 C	 5.529870000	-4.068403000	-0.339985000
 H	 4.922901000	-2.071650000	-0.912222000
 C	 3.973354000	-5.280373000	 1.076977000
 H	 2.154580000	-4.229865000	 1.593603000
 C	 5.183162000	-5.216589000	 0.378451000
 H	 6.474051000	-4.021296000	-0.874010000
 H	 3.711109000	-6.173233000	 1.636445000
 H	 5.861398000	-6.064921000	 0.397043000
 H	-1.683957000	 0.341982000	-1.693502000
 N	-3.231283000	 0.855297000	-1.894683000
 C	-4.022247000	-0.378062000	-2.183237000
 C	-3.201282000	 1.927401000	-2.938944000
 C	-3.405578000	 1.410002000	-0.538148000
 H	-5.068866000	-0.106146000	-2.387574000
 C	-4.020674000	-1.347189000	-0.988786000
 C	-3.472042000	-1.123595000	-3.409186000
 H	-3.022997000	 2.850610000	-2.375929000
 C	-4.522439000	 2.121671000	-3.693685000
 C	-2.013868000	 1.790516000	-3.910529000
 H	-3.125327000	 0.639800000	 0.186454000
 H	-2.657229000	 2.201924000	-0.422132000
 C	-4.791746000	 1.963135000	-0.197447000
 H	-4.523830000	-0.945267000	-0.106897000
 H	-4.552026000	-2.261006000	-1.276348000
 H	-3.000830000	-1.630237000	-0.706153000
 H	-3.550679000	-0.545601000	-4.331747000
 H	-2.420896000	-1.396678000	-3.261692000
 H	-4.043965000	-2.046720000	-3.555904000
 H	-5.369322000	 2.221208000	-3.008101000
 H	-4.467538000	 3.037317000	-4.294024000
 H	-4.735016000	 1.294430000	-4.378374000
 H	-1.061363000	 1.699456000	-3.380261000
 H	-2.110246000	 0.928780000	-4.575440000
 H	-1.960067000	 2.687760000	-4.539599000
 H	-4.812762000	 2.299063000	 0.846712000
 H	-5.046431000	 2.821833000	-0.827569000
 H	-5.572529000	 1.204966000	-0.321795000

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

-Cu 0
LANL2DZ


