! 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   1.5738410962   1.7991311864   1.9491308009
Cl   4.4827109349  -0.5184341552  -1.8654703665
O   -1.8076026336  -0.6795219025   0.2957736164
O   -0.9109617884   0.2022653045   2.1333394249
N   -1.3444369712   1.9138141167  -1.0613141761
N   -0.3056849333   2.5924617128  -1.5531341573
N   -1.5904138550   1.8156331412  -3.2136858298
C   -0.9157611255   0.2926989825   0.7397423034
C   -1.6993891989  -1.7863504606   1.1869337324
C   -1.3128088532  -1.1075632721   2.5054648987
C   -3.0055504229  -2.5495911895   1.2197166757
C   -1.4710896566   1.6681657715   0.3518927666
C    0.4734286932   0.0668706033   0.1419243871
C   -2.9382176804  -3.7625226719   2.1413784888
C    1.6191018510   0.7101543199   0.6038148546
C    0.6141350048  -0.7547262377  -0.9724152076
C   -4.2423473967  -4.5437797017   2.1637993715
C    2.8537841174   0.5335104888  -0.0019471443
C    1.8328621305  -0.9505134846  -1.5987084755
C   -2.0997332035   1.4517243353  -2.0618541112
C    2.9475169275  -0.2997267687  -1.1023595879
C   -0.4956485284   2.5101729258  -2.8440073833
H   -0.8936122006  -2.4529919347   0.8531159627
H   -2.1576456287  -1.0301411421   3.1960436150
H   -0.4987337302  -1.6297095454   3.0125259715
H   -3.2510558673  -2.8795895218   0.2057844237
H   -3.8085710195  -1.8779765058   1.5417299047
H   -0.9380006426   2.4585439820   0.8747935226
H   -2.5218387719   1.7226060842   0.6380961209
H   -2.6921356620  -3.4472154185   3.1603754889
H   -2.1239491169  -4.4196914779   1.8212069867
H   -0.2522018757  -1.2598614135  -1.3760718088
H   -4.5104795656  -4.9003277572   1.1674047408
H   -4.1707257619  -5.4149640828   2.8161710577
H   -5.0685450704  -3.9294206180   2.5266744376
H    3.7263637530   1.0455405418   0.3789926221
H    1.9023826619  -1.5973831465  -2.4621748472
H   -2.9969350344   0.8737435896  -1.9058119044
H    0.1784363437   2.9725786064  -3.5481466054
*