! 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   1.2481143443  -0.4352058970  -2.4381215369
Cl   5.7343501936  -0.3311478457   0.4307945946
O   -0.9169310054  -0.6364141923  -0.4650365503
O   -0.7922164180   0.4005330286   1.4980363369
N   -2.0081737968   1.9961184596  -0.4622402505
N   -2.5933370181   2.7067293789   0.5038031151
N   -4.1217815063   1.9429690184  -0.9426825617
C   -0.2677938446   0.3957153681   0.2102160363
C   -1.4237495594  -1.5828702277   0.4737034802
C   -1.0822459652  -0.9466133487   1.8262731819
C   -2.9070662325  -1.7960651955   0.2307377534
C   -0.5947460395   1.7371488832  -0.4531831953
C    1.2480038118   0.1902003812   0.2286469882
C   -3.4775469106  -2.9562227657   1.0370707552
C    1.9884073007  -0.1794792712  -0.8932312726
C    1.9520244114   0.4175794727   1.4078572569
C   -4.9614249770  -3.1625829909   0.7727970599
C    3.3649981044  -0.3418990593  -0.8392674970
C    3.3248959775   0.2606673318   1.4909582574
C   -2.9311538707   1.5395616399  -1.3123270461
C    4.0208509361  -0.1247647155   0.3593430807
C   -3.8572798002   2.6502209411   0.1746479042
H   -0.8898993141  -2.5309189122   0.3489674842
H   -1.9113559419  -0.9538943117   2.5342171276
H   -0.2244803151  -1.4346467902   2.2996396177
H   -3.0626588009  -1.9918198120  -0.8345640099
H   -3.4525113077  -0.8753270459   0.4642789527
H   -0.2245927252   1.7487830481  -1.4769738188
H   -0.1029698911   2.5471526473   0.0824849954
H   -3.3226304468  -2.7863021738   2.1070370184
H   -2.9315338041  -3.8725452092   0.7933954022
H    1.4166960867   0.7278506937   2.2945847483
H   -5.5407232172  -2.2779480223   1.0444826978
H   -5.1519639197  -3.3675339157  -0.2826639633
H   -5.3562379450  -4.0021029315   1.3464140209
H    3.9139629330  -0.6325967694  -1.7241692566
H    3.8370250167   0.4400983903   2.4260564587
H   -2.6933041070   0.9387147288  -2.1750629300
H   -4.6195806755   3.1459009327   0.7553638235
*