%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_ProductR_base

1 1
 C	 3.880498000	 12.648271000	-5.796106000
 H	 3.018172000	 12.470397000	-6.443978000
 N	 3.651611000	 11.950180000	-4.513486000
 O	 3.974781000	 14.089799000	-3.917537000
 Cu	 3.543129000	 9.839005000	-4.287855000
 C	 3.939254000	 14.142726000	-5.372587000
 H	 3.046390000	 14.703451000	-5.661905000
 H	 4.834299000	 14.665284000	-5.712847000
 N	 3.478917000	 10.083979000	-2.274715000
 O	 3.412506000	 11.072442000	-0.264544000
 C	 3.755008000	 12.807013000	-3.565595000
 C	 3.635514000	 12.618454000	-2.066392000
 C	 3.517930000	 11.178015000	-1.603493000
 C	 3.402619000	 9.650362000	 0.053160000
 H	 4.352160000	 9.413770000	 0.540238000
 H	 2.574352000	 9.466968000	 0.738548000
 C	 3.248171000	 8.962816000	-1.326096000
 H	 4.025936000	 8.219070000	-1.492440000
 C	 3.100076000	 8.825841000	-6.014726000
 C	 4.002533000	 8.007314000	-5.808354000
 C	 4.985220000	 6.926629000	-5.777874000
 C	 4.350798000	 5.576304000	-5.471482000
 C	 5.839179000	 6.949450000	-7.084926000
 O	 6.213848000	 8.233793000	-7.511649000
 H	 6.710950000	 6.292383000	-6.956590000
 H	 5.214717000	 6.518015000	-7.872914000
 C	 4.877889000	 4.383543000	-5.987452000
 C	 3.192501000	 3.102446000	-4.809610000
 C	 4.296580000	 3.155762000	-5.661946000
 C	 3.241209000	 5.513584000	-4.614781000
 C	 2.666980000	 4.287333000	-4.285718000
 H	 2.831313000	 6.429181000	-4.205859000
 H	 5.746084000	 4.395464000	-6.636504000
 H	 4.714660000	 2.241415000	-6.073580000
 H	 2.743195000	 2.145957000	-4.556619000
 H	 1.805694000	 4.260915000	-3.624326000
 C	 5.131841000	 12.162977000	-6.506230000
 C	 5.255564000	 12.384861000	-7.885024000
 C	 6.183285000	 11.548236000	-5.818065000
 C	 6.414644000	 12.006960000	-8.563486000
 H	 4.438671000	 12.854989000	-8.427828000
 C	 7.344556000	 11.168564000	-6.497125000
 H	 6.087934000	 11.340012000	-4.757410000
 C	 7.464270000	 11.397532000	-7.869330000
 H	 6.495285000	 12.181178000	-9.633168000
 H	 8.144702000	 10.677378000	-5.951176000
 H	 8.364408000	 11.095114000	-8.397583000
 C	 1.886502000	 8.335753000	-1.558186000
 C	 1.761203000	 6.951055000	-1.714695000
 C	 0.731907000	 9.132171000	-1.586288000
 C	 0.502326000	 6.368502000	-1.892100000
 H	 2.650926000	 6.327331000	-1.701233000
 C	-0.524815000	 8.553346000	-1.765684000
 H	 0.815416000	 10.209664000	-1.465050000
 C	-0.642459000	 7.167430000	-1.918410000
 H	 0.418131000	 5.291365000	-2.006303000
 H	-1.411603000	 9.181106000	-1.785397000
 H	-1.620665000	 6.715381000	-2.057295000
 H	 6.624746000	 8.703644000	-6.763251000
 C	 2.350110000	 13.365447000	-1.607936000
 H	 1.460412000	 12.927089000	-2.073974000
 H	 2.414644000	 14.417927000	-1.894604000
 H	 2.248086000	 13.300604000	-0.522415000
 C	 4.887030000	 13.243081000	-1.390915000
 H	 5.799024000	 12.730187000	-1.715351000
 H	 4.802979000	 13.156680000	-0.305619000
 H	 4.965234000	 14.299349000	-1.655737000
 S	 6.177246000	 7.328480000	-4.328205000
 O	 6.928038000	 8.548281000	-4.723122000
 O	 5.402791000	 7.330998000	-3.071006000
 C	 7.332611000	 5.962147000	-4.258199000
 C	 8.534464000	 6.051226000	-4.966613000
 C	 6.998021000	 4.833867000	-3.503454000
 C	 9.420418000	 4.974543000	-4.917856000
 H	 8.771297000	 6.945627000	-5.533130000
 C	 7.894622000	 3.766610000	-3.465201000
 H	 6.059662000	 4.795660000	-2.961531000
 C	 9.099149000	 3.836316000	-4.172172000
 H	 10.360650000	 5.027048000	-5.458453000
 H	 7.651541000	 2.881874000	-2.884455000
 H	 9.792940000	 3.001037000	-4.138852000
 H	 1.901439000	 9.363300000	-6.315762000
 N	 0.673017000	 9.804186000	-6.458651000
 C	-0.163111000	 8.578056000	-6.749941000
 C	 0.660016000	 10.896534000	-7.514983000
 C	 0.464528000	 10.377902000	-5.096487000
 H	-1.193101000	 8.903296000	-6.933101000
 C	-0.168215000	 7.610547000	-5.557649000
 C	 0.358211000	 7.840115000	-7.990447000
 H	 0.831970000	 11.814866000	-6.944936000
 C	-0.676451000	 11.069966000	-8.246864000
 C	 1.833806000	 10.765641000	-8.495501000
 H	 0.738139000	 9.606938000	-4.373265000
 H	 1.212074000	 11.168816000	-4.985413000
 C	-0.924388000	 10.927041000	-4.782011000
 H	-0.663239000	 8.018958000	-4.674577000
 H	-0.714587000	 6.706306000	-5.846082000
 H	 0.848219000	 7.312373000	-5.281722000
 H	 0.275022000	 8.426976000	-8.906431000
 H	 1.405134000	 7.546172000	-7.860459000
 H	-0.233081000	 6.929337000	-8.133062000
 H	-1.519396000	 11.156850000	-7.555808000
 H	-0.631689000	 11.993531000	-8.835021000
 H	-0.884141000	 10.250417000	-8.941095000
 H	 2.792690000	 10.692691000	-7.975506000
 H	 1.739755000	 9.896474000	-9.150546000
 H	 1.861493000	 11.658455000	-9.131223000
 H	-0.943266000	 11.264924000	-3.739333000
 H	-1.176190000	 11.785566000	-5.412281000
 H	-1.704883000	 10.168696000	-4.901345000

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

-Cu 0
LANL2DZ

