! 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  -7.1649085650  -0.7944733830  -1.4572348733
F    2.6166553253  -3.0640689453   0.4832176828
F    3.7638322033  -1.8425892086  -0.8256276365
F    3.6968618558  -1.4195453153   1.3009246535
O    4.1607727114   0.7356138444  -0.2743707210
O   -1.7726811453  -1.4793204097   0.7173428630
N    2.4453592284   2.9589808794   0.6689337244
N    3.1209126026   2.4315136852   1.6935563799
N    1.3948041924   3.6317322053   2.4430697478
C    3.0061441330   1.1576724506  -0.9501045033
C    1.7573663643   0.3710302453  -0.5263693620
C    2.8314642581   2.6730618331  -0.6935502820
C    3.2516815868   0.9728837850  -2.4447414333
C    1.7443843376  -0.9213742881   0.0307852896
C    0.5160544015   0.9685220741  -0.7409140811
C    0.5382136063  -1.5058726733   0.4069923909
C   -0.6869118251   0.3938235478  -0.3728430202
C   -0.6678583712  -0.8499241243   0.2313585084
C    2.9663435171  -1.7884776588   0.2424657111
C    1.4161463770   3.6678280268   1.1304166745
C    2.4557412134   2.8606170495   2.7377863107
C   -3.0054187759  -1.2673838832   0.1647571813
C   -3.2215641286  -1.3398817202  -1.2049741300
C   -4.0628846786  -1.0487467268   1.0347878817
C   -4.5051512948  -1.1868980795  -1.7043207700
C   -5.3486516610  -0.9084473787   0.5371302096
C   -5.5603742456  -0.9739399527  -0.8306532424
H    3.7871521689   3.1569406704  -0.9029078678
H    2.0959380719   3.1346629894  -1.3479912661
H    3.4545565414  -0.0702460024  -2.6820314960
H    2.3834608201   1.2821816966  -3.0261655155
H    4.1083833905   1.5656914803  -2.7718210834
H    0.4605636897   1.9372193699  -1.2173743971
H    0.5104046030  -2.4904920901   0.8511420678
H    4.1143554803   1.0644103913   0.6382616727
H   -1.6097077844   0.9310044006  -0.5488208720
H    0.7248430017   4.1871739685   0.4853262847
H    2.7475074784   2.6062341539   3.7447298088
H   -2.4037580879  -1.5239014218  -1.8901580135
H   -3.8863860622  -0.9977945386   2.1014627397
H   -4.6750824001  -1.2447290149  -2.7707706470
H   -6.1734824501  -0.7442893295   1.2171582709
*