! 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   0.1976894946  -0.5755866928  -2.7175311574
Cl   4.4950012970  -1.8315040543   0.1702728166
O   -2.0619496576  -0.6103962661  -0.8311210271
O   -1.7863943851   0.0570893983   1.2859223675
N   -0.2995073827   2.4036948688   0.2834252497
N   -0.5521280197   2.8197540790   1.5256970974
N    1.4985331638   3.4553298552   0.8880654226
C   -1.2261815657   0.1297371248   0.0138544751
C   -3.0048296282  -1.3484386069  -0.0510751837
C   -2.4459014225  -1.1964767563   1.3572247930
C   -1.2362864866   1.5935546849  -0.4491068115
C    0.1994411233  -0.4246380848   0.0159716088
C   -4.4036488546  -0.7813425828  -0.2317981507
C   -5.4712194942  -1.6656515964   0.3939305968
C    0.9043009238  -0.7404828579  -1.1439258169
C    0.8800126539  -0.5481291892   1.2241972892
C    2.2208930068  -1.1760207504  -1.1060837298
C    2.1921940363  -0.9832660120   1.2926473011
C    0.9290488293   2.7820930355  -0.0804485035
C    2.8532882371  -1.2953274089   0.1184366712
C    0.5507174785   3.4458468256   1.8460018196
H   -2.9797436736  -2.3916671282  -0.3791655774
H   -3.2042430340  -1.1427428302   2.1378433416
H   -1.7473249932  -2.0023632068   1.6081748704
H   -2.2374812381   2.0085647055  -0.3293717768
H   -0.9772369051   1.6497673289  -1.5050103448
H   -4.6022757292  -0.6762059276  -1.3014291568
H   -4.4517733187   0.2244021060   0.1973110167
H   -5.3310926819  -1.7845825639   1.4700061364
H   -6.4629758920  -1.2380285055   0.2458520449
H   -5.4746284553  -2.6629472770  -0.0498707935
H    0.3784110368  -0.2915341175   2.1466863471
H    2.7427078495  -1.4137137344  -2.0225769799
H    2.6863898051  -1.0673305708   2.2503753841
H    1.3515743376   2.5585200501  -1.0479513844
H    0.6749251076   3.9221402825   2.8062249752
*