! 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   0.8428440816  -0.0214963002   2.1830715071
Cl   4.2216309042  -2.1384718725  -1.3276872829
O   -2.1729123681  -0.4343160534  -1.1402624244
O   -1.7982791728  -0.0826925828   1.0221108901
N   -0.4022008823   2.4098838067   0.3141267940
N    0.8756871390   2.6081565783  -0.0172552135
N    0.4258647238   3.5427529657   1.9666307827
C   -1.2753109301   0.1537805768  -0.2406582660
C   -2.9046080494  -1.4608330739  -0.4641776528
C   -2.3579794419  -1.3815903535   0.9645218783
C   -1.2931223649   1.6581095205  -0.5276001464
C    0.1207565294  -0.4468811151  -0.4342119067
C   -4.3933299950  -1.1895725439  -0.5682068845
C   -4.8966844088  -1.1107635749  -2.0007589587
C    1.0970726042  -0.5467132256   0.5547576858
C    0.4696464978  -0.8782348316  -1.7125810043
C    2.3540273411  -1.0732818980   0.2868864909
C    1.7180236338  -1.3938621630  -2.0099604379
C   -0.6540858596   2.9648170428   1.5028915916
C    2.6539266380  -1.4910525652  -0.9955127397
C    1.3322081315   3.2892110047   1.0015826465
H   -2.6679946750  -2.4271801713  -0.9210003852
H   -3.1296884133  -1.4620995819   1.7299174533
H   -1.6017721869  -2.1506929239   1.1559063549
H   -2.3077410819   2.0293683134  -0.3798649830
H   -1.0156301698   1.8384066319  -1.5651973433
H   -4.6327386229  -0.2657651338  -0.0317379942
H   -4.9113323232  -1.9965349863  -0.0426282488
H   -4.4451786942  -0.2807756936  -2.5447013947
H   -4.6795860306  -2.0281455616  -2.5520670972
H   -5.9771737027  -0.9654582338  -2.0235417589
H   -0.2562984110  -0.8117943250  -2.5109778921
H    3.0893790861  -1.1469732652   1.0759153420
H    1.9489388501  -1.7152572611  -3.0158994639
H   -1.6237776503   2.9312315268   1.9740601073
H    2.3570634646   3.6234207965   1.0477225116
*