! 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  -0.6444514085  -0.4537429229   2.4821060909
Cl   1.7716361333  -4.1488196197  -0.5007737795
O   -1.8007269953   1.4486001123   0.5045373554
O   -0.6055062720   2.0068247087  -1.3003429004
N    1.7758836513   2.2104435987   0.4497017431
N    2.5890362492   1.3670481909   1.0899825907
N    3.6440930787   2.3022897239  -0.6480374165
C   -0.5089443732   1.4342862798  -0.0304979897
C   -2.7521946271   1.6381055531  -0.5445636580
C   -1.8852293056   1.6599772108  -1.8002194040
C   -3.8425330029   0.5805383365  -0.5279856925
C    0.3914649067   2.3362963946   0.8244694012
C    0.0444597206   0.0125664633  -0.1219882243
C   -3.3770134613  -0.8712010293  -0.5238880612
C    0.0269538707  -0.8826146448   0.9446938371
C    0.6402999734  -0.4198120677  -1.3018663111
C   -4.5449548651  -1.8379791673  -0.6537533026
C    0.5518310514  -2.1607991475   0.8390068593
C    1.1723182758  -1.6908570706  -1.4385065432
C    2.4151311030   2.7544956448  -0.5903472748
C    1.1189298721  -2.5543893633  -0.3602579021
C    3.6965183803   1.4563558968   0.4005139580
H   -3.2172870332   2.6194722860  -0.4018368696
H   -1.8631673828   0.6923596159  -2.3135643078
H   -2.1977090435   2.4183304970  -2.5167369328
H   -4.4765377693   0.7669162922  -1.4019090995
H   -4.4829911933   0.7516114423   0.3420286840
H    0.3073282422   2.0801998335   1.8774822973
H    0.0746536689   3.3726433911   0.7039416129
H   -2.8373918142  -1.0786220271   0.4019803090
H   -2.6709779747  -1.0573366552  -1.3377803353
H    0.6961478359   0.2491881427  -2.1490905454
H   -5.0792152076  -1.6950908340  -1.5953034167
H   -4.2063224959  -2.8745554307  -0.6237294416
H   -5.2661203365  -1.7061884052   0.1555766993
H    0.5210599636  -2.8352185773   1.6835971380
H    1.6211771075  -1.9938972368  -2.3740836606
H    1.9577894109   3.4688034247  -1.2566159559
H    4.5785716895   0.8943703290   0.6660351930
*