! 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  -0.0613985600  -0.5896318265   2.7263051727
Cl  -4.3387427772  -1.2244181106  -0.4285218045
O    3.6320009207  -1.4939815952  -0.0693929794
N    2.2877088494  -1.6873782465  -0.1375739885
N   -0.3982403451   3.4242500594  -0.1533526979
C    2.1337810866   0.7126638041   0.4924025720
C    1.6017129932  -0.6570484527   0.1471991921
C    0.1321520569  -0.8368796874   0.0356757734
C    1.3506470715   1.7833776945  -0.2134013437
C   -0.7168491067  -0.7809805972   1.1358986496
C   -0.4445537719  -1.0309111994  -1.2156025611
C    1.5679465141   2.0642448513  -1.5569772817
C    0.3509483391   2.5005988230   0.4336653599
C   -2.0912935364  -0.8993050754   1.0094544350
C   -1.8139829951  -1.1538539633  -1.3748148028
C   -2.6255588231  -1.0809114421  -0.2550336735
C    0.7941039297   3.0279000868  -2.1811451669
C   -0.1785910361   3.6780443119  -1.4368283700
C    4.3096869779  -2.6635102206  -0.4891431664
H    2.0828776499   0.8592994630   1.5740337034
H    3.1878915824   0.7815977014   0.2250331467
H    0.1930123802  -1.0740325948  -2.0886364139
H    2.3351838774   1.5353746395  -2.1106177216
H    0.1508775397   2.3188504031   1.4854626959
H   -2.7290652036  -0.8587437572   1.8815230089
H   -2.2367405364  -1.2995161947  -2.3589979115
H    0.9380072723   3.2722131261  -3.2247995536
H   -0.8043653370   4.4347985862  -1.8966667621
H    4.0688087104  -2.9239904722  -1.5224170343
H    4.0862363127  -3.5159822368   0.1566512774
H    5.3726303407  -2.4387057907  -0.4212920226
*