! 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   0.4139542951   0.9186018781  -1.8615768387
Cl   4.4285284631  -2.2589049057  -0.4414710993
O   -1.9079888135   0.1324239723  -0.3676998445
O   -1.8374176706  -1.1923003517   1.4227625807
N   -0.3949718206   2.1392521361   1.1263395505
N    0.9240812215   2.3084718782   1.2442961864
N    0.0256677170   3.9658548432   0.0379506966
C   -1.1360367350  -0.1932972192   0.7451459439
C   -2.8357372096  -0.9187795038  -0.6360696298
C   -2.4735105938  -1.9646089490   0.4186008268
C   -1.0653969776   1.0043947941   1.7000990704
C    0.2605745912  -0.6908950265   0.3611720031
C   -4.2568402154  -0.3906855381  -0.5316521807
C   -5.2866146741  -1.3990780808  -1.0170123269
C    0.9980748623  -0.2604277033  -0.7395672662
C    0.8719030108  -1.6092772309   1.2132601874
C    2.2752419876  -0.7448152056  -0.9928506808
C    2.1447435806  -2.1011221982   0.9887044799
C   -0.9166560065   3.1314384954   0.4002455322
C    2.8372022386  -1.6625767501  -0.1259532808
C    1.1310079560   3.4138363441   0.5764685789
H   -2.6551279897  -1.3013303031  -1.6458744611
H   -3.3350715987  -2.4632385496   0.8620376608
H   -1.7995632141  -2.7305773825   0.0203404555
H   -0.5416049865   0.7259592830   2.6138324950
H   -2.0807609969   1.2986073810   1.9673639711
H   -4.3346808212   0.5212167912  -1.1286764456
H   -4.4660443660  -0.1079534778   0.5046261907
H   -5.1158152536  -1.6735614920  -2.0595701761
H   -5.2756287761  -2.3188205829  -0.4290023847
H   -6.2935086289  -0.9873282156  -0.9481441933
H    0.3375144082  -1.9591812350   2.0858797279
H    2.8230091631  -0.3986128299  -1.8582596971
H    2.5824414081  -2.8132884586   1.6742051422
H   -1.9685363224   3.2036847318   0.1734213386
H    2.1164281514   3.8429300702   0.4794739583
*