! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -5.3651835100   1.2372522701  -0.4189351442
F   -2.2335981473  -2.0800101620   1.9692363518
F   -0.9051223763  -2.7299295095   0.4149645571
F   -0.2820041294  -1.2031299180   1.7970041788
O    2.3220022840   2.0146124691   0.4244978212
N    2.5018269561  -0.3510591180  -1.1199397658
N    0.2475805398  -0.4807868985  -0.9602766688
N    4.6095418401  -0.6122287887  -1.7121872125
C    1.2695920207   0.2561475438  -0.8705663374
C    1.3100265349   1.7247528566  -0.4901685452
C    2.0653968387   1.5366169489   1.7344849640
C   -1.0483307370  -0.0201401927  -0.7944942118
C    3.2684098493   1.8088980283   2.6095465758
C   -1.8789816235  -0.5993879570   0.1744016433
C   -1.5908859759   0.9352976787  -1.6520572929
C   -3.2022243039  -0.2020365196   0.2943877238
C    2.7199344402  -1.7117027308  -1.2075823573
C    4.5165513927   1.0509428125   2.1816212855
C    3.6876592702   0.2559145804  -1.4400135149
C   -1.3263172450  -1.6525515484   1.0864268265
C   -2.9132371766   1.3256118248  -1.5437693405
C   -3.7102248510   0.7566380019  -0.5659279537
C    4.0200412592  -1.8450946584  -1.5622492201
H    0.3239002596   2.0131588727  -0.1077370940
H    1.4891651602   2.3260246647  -1.3858765993
H    1.8616817087   0.4576721453   1.7258529316
H    1.1733309407   2.0298941432   2.1420857513
H    3.4659772748   2.8842754147   2.6381333412
H    2.9942362965   1.5218634422   3.6277417338
H   -0.9745211604   1.3628568714  -2.4323563515
H   -3.8448064097  -0.6345929874   1.0480020436
H    1.9474348393  -2.4308138053  -0.9997347796
H    5.3317799839   1.2132097023   2.8878351777
H    4.3303074285  -0.0244561990   2.1382960907
H    4.8701940372   1.3640521704   1.1993296983
H    3.8120875484   1.3251552221  -1.4711458903
H   -3.3119017003   2.0675816861  -2.2219604377
H    4.5706182483  -2.7593237376  -1.7187827460
*