! 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  -6.7481339788   0.4506239014   0.3040746546
F    3.3783085043  -1.1717670250   1.7497041782
F    2.8343115062  -3.0143122090   0.8274494753
F    4.1971571705  -1.7279364924  -0.1818295972
O    4.0757859349   0.9122171972   0.1667063916
O   -1.5472666835  -2.0849880984  -0.6264501014
N    1.7028931370   2.6954014031   0.4151552054
N    2.0815803905   2.2699696188   1.6248793988
N   -0.0762828096   2.8399368200   1.6481336593
C    3.1449384021   1.1383693881  -0.8575703564
C    1.9734976086   0.1465160367  -0.8312434477
C    2.6082829309   2.5850443184  -0.7054079857
C    3.8900945718   1.0375345897  -2.1834643595
C    1.9172900501  -1.0709031300  -0.1342745970
C    0.8402846637   0.5031800432  -1.5648188731
C    0.7196043268  -1.7845839065  -0.0749239519
C   -0.3366489838  -0.2161741348  -1.5406176264
C   -0.4063736001  -1.3428635647  -0.7404868619
C    3.0904650888  -1.7215260380   0.5635946254
C    0.4111509138   3.0212872002   0.4413460949
C    0.9840200077   2.3742203928   2.3322799679
C   -2.7323238426  -1.4442498467  -0.3982341918
C   -2.8245521223  -0.2773771679   0.3531117934
C   -3.8758491971  -2.0355950197  -0.9167775519
C   -4.0639968427   0.3057423774   0.5664684060
C   -5.1157933560  -1.4589011212  -0.6926407816
C   -5.2019679147  -0.2850368363   0.0404713089
H    3.4606967922   3.2478492063  -0.5468354258
H    2.0879989858   2.9400876265  -1.5913215499
H    4.6716525476   1.7971926651  -2.2478666898
H    4.3594591150   0.0592718526  -2.2867177908
H    3.2156885287   1.1741570004  -3.0281653540
H    0.8598789803   1.3892359243  -2.1849742778
H    0.6423098426  -2.7017588704   0.4918174673
H    3.6861252728   1.2154815005   1.0025368175
H   -1.1848487337   0.1191713863  -2.1236237583
H   -0.1234794899   3.3841682536  -0.4227486270
H    0.9520149480   2.1080657347   3.3776894122
H   -1.9465848194   0.1900793464   0.7814187693
H   -3.8001369363  -2.9486366813  -1.4944900263
H   -4.1323146675   1.2161617009   1.1475338200
H   -6.0034778814  -1.9240237052  -1.1000710147
*