! 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  -0.7072358810   0.5323855132  -2.6976727097
Cl  -1.9134422392   4.8849384907   0.1483073084
F    3.3216832310  -1.4934316396   0.3327028891
F    2.0733085465  -0.6332746420  -1.2016613592
F    3.8168367517   1.0265854712   1.3470012073
F    2.5508564860   1.8844434505  -0.2151656472
O    1.5087021292  -0.3466832043   0.9454422879
N   -1.6719500441  -3.2293825722   0.4504769689
N   -1.2525490168  -3.9030644149  -0.6202280969
N   -1.4452336214  -5.2718741954   1.1397903822
C   -0.6653777336  -1.0149659082   0.0150423969
C   -1.9217408661  -1.8070513389   0.3904227319
C    0.4846633709  -1.3451423098   0.9725411051
C   -0.9865980026   0.4584090571   0.0128649807
C   -1.0112630951   1.2340655406  -1.1423117145
C   -1.2738815817   1.1075803347   1.2122842824
C    2.5070442886  -0.4382454944   0.0686172852
C   -1.2932061300   2.5930242128  -1.1139412394
C   -1.5630419368   2.4577012862   1.2753107674
C   -1.7803906486  -4.0544479469   1.4928722764
C   -1.5640472141   3.1927014553   0.1011774014
C    3.3464178266   0.8375845053   0.0939736928
C   -1.1291163620  -5.1217025539  -0.1596676653
H   -0.3802678262  -1.3243190699  -0.9894220833
H   -2.3017365715  -1.5077974579   1.3670869116
H   -2.7094478240  -1.6178053256  -0.3388311737
H    0.1435104652  -1.3562983045   2.0082668510
H    0.8926191561  -2.3350296490   0.7584318955
H   -1.2711525113   0.5460738762   2.1386400061
H   -1.2989224929   3.1694770628  -2.0283515673
H   -1.7779600670   2.9250045238   2.2259836420
H   -2.1054520954  -3.7277870457   2.4681981227
H    4.1810736659   0.7931899154  -0.6070202184
H   -0.8016939911  -5.9360733675  -0.7869146917
*