%nprocshared=36
%mem=120GB
#p wb97xd/genecp scrf=(solvent=dichloromethane,pcm) nosymm scf=yqc

TS34_CH_H-EDA_TpBr83_Nupright_ccpVTZ

0 1
 C	 0.186888000	 0.435350000	-0.967700000
 C	 0.165162000	 0.071452000	-2.359312000
 O	 0.387018000	-1.136132000	-2.670497000
 O	-0.091832000	 0.982107000	-3.276490000
 C	-0.228324000	 0.536551000	-4.640532000
 H	-0.985311000	-0.251800000	-4.676068000
 H	 0.725621000	 0.117319000	-4.972307000
 C	 0.817898000	-0.742348000	-0.252446000
 C	 2.246883000	-0.850072000	 0.091106000
 C	 0.176619000	-1.568750000	 0.707438000
 C	 2.366457000	-1.777685000	 1.134019000
 C	 3.395137000	-0.247177000	-0.421106000
 H	-0.885336000	-1.737902000	 0.835376000
 C	 3.587027000	-2.145057000	 1.691503000
 C	 4.622914000	-0.591169000	 0.130298000
 H	 3.324949000	 0.480831000	-1.223772000
 C	 4.718250000	-1.530444000	 1.170797000
 H	 3.651900000	-2.868657000	 2.497286000
 H	 5.528441000	-0.125976000	-0.246648000
 H	 5.693227000	-1.778025000	 1.578121000
 H	 0.670862000	-1.443833000	-1.378317000
 N	 1.071725000	-2.192932000	 1.464937000
 H	 0.845684000	-2.874730000	 2.176703000
 C	-0.633591000	 1.740342000	-5.462205000
 H	-1.585742000	 2.146311000	-5.107752000
 H	-0.750075000	 1.445619000	-6.509229000
 H	 0.126654000	 2.524791000	-5.405251000
 N	-3.140428000	-0.907633000	 0.107888000
 N	-1.529680000	 1.264717000	 2.127629000
 N	-3.291977000	 2.049299000	-0.092862000
 N	-4.152807000	-0.578648000	 0.944066000
 C	-3.558441000	-1.945360000	-0.599616000
 N	-2.582530000	 0.522459000	 2.540604000
 C	-0.485100000	 0.832047000	 2.813094000
 N	-4.041547000	 1.930581000	 1.030350000
 C	-3.578440000	 3.225571000	-0.625374000
 B	-3.981948000	 0.643027000	 1.881910000
 C	-5.194764000	-1.410428000	 0.753678000
 C	-4.857648000	-2.318579000	-0.235474000
 C	-2.186639000	-0.377616000	 3.463234000
 C	-0.830587000	-0.214524000	 3.679963000
 C	-4.792380000	 3.039911000	 1.188720000
 C	-4.529830000	 3.906864000	 0.142946000
 H	-4.845980000	 0.651938000	 2.704913000
 Br	 0.266771000	-1.173517000	 4.831762000
 Br	 1.200674000	 1.589408000	 2.571536000
 Br	-3.338807000	-1.613790000	 4.235365000
 Br	-6.789112000	-1.297492000	 1.696568000
 Br	-5.971465000	 3.301607000	 2.597192000
 Br	-5.272364000	 5.578933000	-0.168179000
 Br	-2.751156000	 3.794036000	-2.190964000
 Br	-2.461414000	-2.714002000	-1.891214000
 Br	-5.886771000	-3.708491000	-0.910459000
 Cu	-1.727220000	 0.759651000	-0.423755000
 H	 0.626076000	 1.410979000	-0.748803000

-C -N -O -P -H -Br -B 0
cc-pVTZ
****
-Cu 0
cc-pVTZ
F  1  1.0
3.525    1.000
****


