%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_ProductS_base_IRC_R_min

1 1
 C	 0.410598000	 3.190800000	 0.526652000
 H	 1.232544000	 2.615662000	 0.956615000
 N	-0.148027000	 2.401032000	-0.599143000
 O	 0.488126000	 4.325590000	-1.559834000
 Cu	-0.524208000	 0.357002000	-0.474784000
 C	 0.933321000	 4.470579000	-0.178368000
 H	 0.511983000	 5.397864000	 0.212978000
 H	 2.023780000	 4.534027000	-0.189139000
 N	-0.717795000	 0.297654000	-2.524202000
 O	-1.236004000	 1.051817000	-4.568684000
 C	-0.064124000	 3.101280000	-1.668236000
 C	-0.576288000	 2.783677000	-3.060067000
 C	-0.844570000	 1.310214000	-3.306772000
 C	-1.553528000	-0.369677000	-4.624849000
 H	-1.138930000	-0.770353000	-5.549718000
 H	-2.643049000	-0.465856000	-4.623991000
 C	-0.904889000	-0.924577000	-3.335548000
 H	-1.596242000	-1.593324000	-2.815298000
 C	-1.337227000	-0.618365000	 1.136823000
 C	-0.258789000	-1.100557000	 1.461674000
 C	 1.004571000	-1.669466000	 1.880589000
 C	 1.370933000	-2.932772000	 1.120373000
 C	 1.036605000	-1.814146000	 3.437187000
 O	 0.467774000	-0.728582000	 4.125756000
 H	 2.071882000	-2.000615000	 3.754014000
 H	 0.446337000	-2.700862000	 3.683775000
 C	 2.154378000	-3.932104000	 1.715968000
 C	 2.148374000	-5.193279000	-0.350581000
 C	 2.535431000	-5.056983000	 0.984197000
 C	 0.980640000	-3.080285000	-0.218525000
 C	 1.368509000	-4.201456000	-0.950035000
 H	 0.387748000	-2.309288000	-0.696823000
 H	 2.488265000	-3.837575000	 2.742872000
 H	 3.142345000	-5.822685000	 1.458978000
 H	 2.453150000	-6.066414000	-0.920983000
 H	 1.069197000	-4.289573000	-1.989146000
 C	-0.640562000	 3.432630000	 1.591727000
 C	-0.471136000	 2.913012000	 2.879246000
 C	-1.791719000	 4.179214000	 1.302089000
 C	-1.426093000	 3.151817000	 3.871273000
 H	 0.415764000	 2.327627000	 3.102747000
 C	-2.748602000	 4.415560000	 2.289377000
 H	-1.939999000	 4.577765000	 0.300986000
 C	-2.564686000	 3.905829000	 3.579544000
 H	-1.280984000	 2.745244000	 4.868176000
 H	-3.636576000	 4.996234000	 2.054151000
 H	-3.308293000	 4.091911000	 4.349676000
 C	 0.418034000	-1.644111000	-3.575859000
 C	 0.412966000	-2.822701000	-4.337362000
 C	 1.633955000	-1.159719000	-3.080819000
 C	 1.603949000	-3.495381000	-4.614258000
 H	-0.528254000	-3.209578000	-4.722663000
 C	 2.826644000	-1.837269000	-3.354667000
 H	 1.649994000	-0.265667000	-2.468053000
 C	 2.817310000	-3.002568000	-4.122645000
 H	 1.584533000	-4.404159000	-5.209894000
 H	 3.763568000	-1.448532000	-2.964238000
 H	 3.745414000	-3.526207000	-4.335235000
 H	 0.998756000	 0.056906000	 3.899102000
 C	-1.899026000	 3.574569000	-3.256624000
 H	-2.656900000	 3.246902000	-2.538841000
 H	-1.712451000	 4.642111000	-3.110957000
 H	-2.277708000	 3.418750000	-4.269887000
 C	 0.476966000	 3.240610000	-4.106555000
 H	 1.418557000	 2.696671000	-3.974886000
 H	 0.102496000	 3.055902000	-5.115223000
 H	 0.671303000	 4.308658000	-3.993446000
 S	 2.300081000	-0.307678000	 1.418526000
 O	 2.256238000	 0.717887000	 2.496117000
 O	 2.028371000	 0.121187000	 0.026249000
 C	 3.887855000	-1.116366000	 1.453524000
 C	 4.625245000	-1.108684000	 2.640186000
 C	 4.326872000	-1.778691000	 0.302632000
 C	 5.845651000	-1.784666000	 2.667071000
 H	 4.261199000	-0.575991000	 3.512110000
 C	 5.547094000	-2.449146000	 0.349206000
 H	 3.723179000	-1.778727000	-0.597814000
 C	 6.301578000	-2.453430000	 1.527316000
 H	 6.438631000	-1.786017000	 3.576568000
 H	 5.905416000	-2.971449000	-0.532728000
 H	 7.250904000	-2.980413000	 1.556614000
 H	-2.455283000	-0.378545000	 1.167552000
 N	-4.051981000	-0.173766000	 1.353610000
 C	-4.504607000	 0.350898000	 0.032932000
 C	-4.080986000	 0.802438000	 2.481221000
 C	-4.489248000	-1.552224000	 1.645223000
 H	-5.599183000	 0.469386000	 0.032129000
 C	-4.134738000	-0.625364000	-1.098617000
 C	-3.885378000	 1.720263000	-0.282544000
 H	-3.421115000	 1.614871000	 2.164106000
 C	-3.456159000	 0.238501000	 3.764936000
 C	-5.458697000	 1.410255000	 2.780636000
 H	-3.990277000	-2.213252000	 0.927046000
 H	-4.083548000	-1.828671000	 2.619828000
 C	-5.995611000	-1.827254000	 1.618828000
 H	-4.651956000	-1.585546000	-1.021252000
 H	-4.413577000	-0.181936000	-2.060724000
 H	-3.054779000	-0.813082000	-1.114595000
 H	-4.206529000	 2.507813000	 0.402817000
 H	-2.791147000	 1.677573000	-0.261478000
 H	-4.193663000	 2.020590000	-1.289974000
 H	-2.465587000	-0.194109000	 3.590666000
 H	-3.333497000	 1.060649000	 4.477107000
 H	-4.091596000	-0.513989000	 4.245052000
 H	-5.948608000	 1.792746000	 1.879394000
 H	-6.128595000	 0.680582000	 3.247331000
 H	-5.344048000	 2.249995000	 3.476621000
 H	-6.176557000	-2.890345000	 1.819883000
 H	-6.529963000	-1.247796000	 2.377414000
 H	-6.436658000	-1.595996000	 0.643204000

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

-Cu 0
LANL2DZ


