%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_F_min

1 1
 C	 0.060683000	 3.671602000	-1.243117000
 H	-0.776888000	 3.464471000	-1.913810000
 N	-0.201937000	 3.019088000	 0.056476000
 O	 0.172776000	 5.168610000	 0.586283000
 Cu	-0.243666000	 0.887549000	 0.331539000
 C	 0.099288000	 5.177919000	-0.868236000
 H	-0.814119000	 5.709707000	-1.150387000
 H	 0.972941000	 5.709462000	-1.247008000
 N	-0.229167000	 1.210355000	 2.335645000
 O	-0.416561000	 2.244936000	 4.316417000
 C	-0.074480000	 3.900518000	 0.977015000
 C	-0.202385000	 3.752786000	 2.479418000
 C	-0.272160000	 2.321307000	 2.977826000
 C	-0.350592000	 0.833231000	 4.671774000
 H	 0.600079000	 0.666059000	 5.185263000
 H	-1.181848000	 0.617888000	 5.344203000
 C	-0.431850000	 0.104131000	 3.308465000
 H	 0.383633000	-0.606032000	 3.183026000
 C	-0.686979000	-0.082181000	-1.339639000
 C	 0.194311000	-0.937505000	-1.177527000
 C	 1.161561000	-2.021584000	-1.190798000
 C	 0.519000000	-3.379931000	-0.950120000
 C	 2.028447000	-1.941454000	-2.486705000
 O	 2.385677000	-0.637548000	-2.867101000
 H	 2.911044000	-2.587558000	-2.376020000
 H	 1.417126000	-2.355127000	-3.294527000
 C	 1.053242000	-4.549625000	-1.507610000
 C	-0.663201000	-5.875478000	-0.430626000
 C	 0.460849000	-5.788352000	-1.253293000
 C	-0.610625000	-3.475621000	-0.122501000
 C	-1.196753000	-4.713530000	 0.134904000
 H	-1.024379000	-2.576715000	 0.318717000
 H	 1.937387000	-4.512174000	-2.133841000
 H	 0.885471000	-6.684799000	-1.696636000
 H	-1.122420000	-6.840419000	-0.233260000
 H	-2.074378000	-4.768294000	 0.772328000
 C	 1.342995000	 3.173784000	-1.888975000
 C	 1.510571000	 3.329003000	-3.272035000
 C	 2.383512000	 2.619669000	-1.135414000
 C	 2.702042000	 2.947272000	-3.889926000
 H	 0.702895000	 3.749151000	-3.867191000
 C	 3.576911000	 2.235883000	-1.753483000
 H	 2.254527000	 2.461869000	-0.069545000
 C	 3.740582000	 2.400477000	-3.130398000
 H	 2.816601000	 3.069010000	-4.963816000
 H	 4.367008000	 1.789389000	-1.157048000
 H	 4.665595000	 2.094372000	-3.611406000
 C	-1.754435000	-0.592817000	 3.050927000
 C	-1.804271000	-1.981607000	 2.892645000
 C	-2.946943000	 0.144280000	 2.992528000
 C	-3.028222000	-2.627720000	 2.692142000
 H	-0.882288000	-2.556056000	 2.915884000
 C	-4.168046000	-0.497812000	 2.785096000
 H	-2.920864000	 1.224938000	 3.111864000
 C	-4.211350000	-1.888568000	 2.636740000
 H	-3.055009000	-3.708041000	 2.582573000
 H	-5.085145000	 0.083761000	 2.742130000
 H	-5.161849000	-2.390748000	 2.478528000
 H	 2.774242000	-0.184373000	-2.096900000
 C	-1.516242000	 4.470561000	 2.900667000
 H	-2.386468000	 3.984330000	 2.445578000
 H	-1.485055000	 5.513115000	 2.574213000
 H	-1.625974000	 4.444041000	 3.987043000
 C	 1.019295000	 4.434971000	 3.152892000
 H	 1.952045000	 3.947819000	 2.848751000
 H	 0.926397000	 4.368328000	 4.238944000
 H	 1.063399000	 5.487672000	 2.866634000
 S	 2.330375000	-1.670791000	 0.285500000
 O	 3.107922000	-0.454128000	-0.066257000
 O	 1.541829000	-1.687253000	 1.534789000
 C	 3.461512000	-3.056992000	 0.335612000
 C	 4.667476000	-2.975316000	-0.365820000
 C	 3.100349000	-4.196623000	 1.059839000
 C	 5.531591000	-4.070321000	-0.339750000
 H	 4.924623000	-2.072137000	-0.908954000
 C	 3.975212000	-5.282071000	 1.076744000
 H	 2.157976000	-4.229294000	 1.595025000
 C	 5.184683000	-5.219066000	 0.377649000
 H	 6.475176000	-4.023868000	-0.875142000
 H	 3.712049000	-6.175647000	 1.634864000
 H	 5.861909000	-6.068342000	 0.394426000
 H	-2.166460000	 0.492615000	-1.781877000
 N	-3.202741000	 0.848350000	-1.880936000
 C	-4.027961000	-0.400277000	-2.181442000
 C	-3.191496000	 1.949118000	-2.949796000
 C	-3.414293000	 1.424767000	-0.504556000
 H	-5.049944000	-0.064652000	-2.373023000
 C	-4.027011000	-1.356604000	-0.982657000
 C	-3.473751000	-1.126638000	-3.412244000
 H	-3.014884000	 2.860397000	-2.371715000
 C	-4.523475000	 2.113335000	-3.680663000
 C	-2.009852000	 1.794193000	-3.914823000
 H	-3.137635000	 0.646472000	 0.207095000
 H	-2.661040000	 2.209634000	-0.399617000
 C	-4.804326000	 1.965758000	-0.213470000
 H	-4.534366000	-0.949462000	-0.106286000
 H	-4.558387000	-2.268934000	-1.272337000
 H	-3.006699000	-1.635462000	-0.701725000
 H	-3.565475000	-0.548704000	-4.332758000
 H	-2.421021000	-1.390081000	-3.265273000
 H	-4.039382000	-2.053528000	-3.551368000
 H	-5.367872000	 2.205580000	-2.992399000
 H	-4.474389000	 3.033667000	-4.272631000
 H	-4.726637000	 1.289907000	-4.371012000
 H	-1.061967000	 1.678315000	-3.383740000
 H	-2.126467000	 0.943296000	-4.589238000
 H	-1.950763000	 2.699899000	-4.528954000
 H	-4.832466000	 2.300935000	 0.829402000
 H	-5.051061000	 2.825739000	-0.843168000
 H	-5.580773000	 1.204828000	-0.340647000

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

-Cu 0
LANL2DZ


