%nprocshared=24
%mem=120GB
#p wb97xd/genecp scrf=(solvent=dichloromethane) nosymm scf=xqc

prodts-cat1H_ONIOM_2BAr4F_QM

0 1
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 H	-15.289637000	 3.919282000	 13.309240000
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 H	-15.629331000	 0.487064000	 7.311721000
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 H	-16.871229000	 4.401369000	 8.686191000
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 C	-12.987751000	-9.916085000	 1.729665000
 C	-11.474130000	-14.184167000	-0.628489000
 C	-14.242603000	-15.305864000	 1.050788000
 H	-14.734900000	-15.452337000	 0.099603000
 C	-10.516909000	-16.080532000	-1.846685000
 C	-13.627649000	-13.213991000	-2.578987000
 H	-12.600113000	-13.318708000	-2.898136000
 C	-13.680901000	-9.270173000	 2.903883000
 C	-17.704996000	-12.502763000	-1.356512000
 C	-14.312125000	-12.995417000	-5.019767000
 B	-12.786767000	-13.408122000	-0.079475000
 C	-12.120864000	-14.956944000	 4.794146000
 C	-15.672686000	-17.171060000	 2.025365000
 F	-15.048741000	-13.977242000	-5.657217000
 C	-10.717524000	-8.796657000	-1.115399000
 F	-9.775673000	-8.119799000	-0.363778000
 F	-11.548589000	-7.875393000	-1.725687000
 F	-10.059806000	-9.519686000	-2.095639000
 F	-16.654246000	-16.916090000	 2.965821000
 F	-16.257063000	-17.175438000	 0.770350000
 F	-15.133617000	-18.422028000	 2.264744000
 H	-8.374168000	-16.266298000	-1.748018000
 C	-7.675216000	-14.268726000	-0.076695000
 F	-6.896515000	-13.851053000	-1.140149000
 F	-7.103015000	-15.395347000	 0.486375000
 F	-10.165156000	-18.404369000	-2.077537000
 F	-12.968881000	-13.226890000	-5.262050000
 F	-14.649568000	-11.763453000	-5.550069000
 F	-7.696405000	-13.270991000	 0.879836000
 C	-12.488602000	-11.873537000	 0.345110000

-C -N -O -P -H -F -Br -B 0
6-31g(d)
*****
-Cu 0
lanl2dz
F  1  1.0
3.525    1.0000
*****

-Cu 0
lanl2dz


