! 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  -2.2645354404  -0.1319127702  -2.7610605158
Cl  -3.5149026536   3.5821286817   0.8495707963
F    3.5314306633  -1.2678074468   0.2019712153
F    4.3071008375   0.1123941065  -1.2632115392
F    5.2146710931   0.5330353011   1.2734591360
F    3.1676789493   0.8254308010   1.9804290555
O    2.2220260726   0.3946710421  -0.5159637409
N   -0.9176776868  -2.3761189975   0.5978179163
N   -1.7448876094  -3.0021287134  -0.2387738979
N   -2.6945713953  -2.7725789155   1.7750529426
C    0.1708779316  -0.8397295944  -0.9611521417
C    0.3601030767  -1.8797753324   0.1459166769
C    1.4970806045  -0.3413041234  -1.5142204851
C   -0.7497986616   0.2763488885  -0.5296306426
C   -1.8752765842   0.6489184507  -1.2632621252
C   -0.5158684965   0.9744246981   0.6554584464
C    3.4637703888   0.0268268025  -0.2031612415
C   -2.7318125078   1.6568797076  -0.8443728311
C   -1.3467300164   1.9889916597   1.0960312606
C   -1.4962399569  -2.2392126627   1.7918215482
C   -2.4542233746   2.3206626308   0.3348977640
C    3.9817983840   0.9427561337   0.9053891450
C   -2.7947556953  -3.2240019048   0.5103769826
H   -0.2834690370  -1.3672955629  -1.8017420951
H    0.9496316086  -2.7164284185  -0.2302401458
H    0.8754829583  -1.4809705770   1.0180590416
H    2.0742392401  -1.1860853276  -1.8951745538
H    1.3191432457   0.3371295787  -2.3489248719
H    0.3432376076   0.7302606811   1.2651620572
H   -3.6052921113   1.9201874262  -1.4238173876
H   -1.1294353994   2.5065229310   2.0198362322
H   -1.0140575733  -1.7575491207   2.6281379049
H    4.0207901423   1.9862587577   0.5890900006
H   -3.6681338407  -3.7312530194   0.1303655921
*