! 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   0.8777719773   0.0240227195  -2.9575770874
Cl   1.9762100738  -4.2234325792   0.0654359274
O   -1.3020011850   1.5137163724   0.7001959676
O   -1.2624737253   1.4735371959  -1.5275679157
N    1.5785297951   2.1843746447   0.6361198879
N    2.7082921732   1.5017313481   0.4365201464
N    2.5210870634   2.0937612978   2.5867099292
C   -0.4660702616   1.2925310417  -0.4019172097
C   -2.6630745381   1.3106238892   0.3064225201
C   -2.5413245335   0.9798696444  -1.1829719533
C   -3.3400983141   0.2245740960   1.1197524457
C    0.6242525328   2.3706885902  -0.4243590735
C    0.1347318713  -0.1119088558  -0.3268524894
C   -4.8090224827   0.0677803179   0.7397197246
C    0.7518674914  -0.7384430182  -1.4072565019
C    0.1351030735  -0.7944528258   0.8857225341
C   -5.4966289239  -1.0387791822   1.5238585718
C    1.3137772041  -2.0016215661  -1.2982729192
C    0.6961506997  -2.0517741386   1.0274217442
C    1.4756289941   2.5251517100   1.9241626505
C    1.2773898276  -2.6488689081  -0.0760666305
C    3.2414290887   1.4741706207   1.6301486981
H   -3.1914385720   2.2592162771   0.4501847589
H   -2.6077430757  -0.1007787543  -1.3629879646
H   -3.2847523165   1.4790271530  -1.8025750617
H   -3.2633322209   0.4649217925   2.1840550468
H   -2.8177684883  -0.7260161603   0.9697743506
H    0.1583423283   3.3512250239  -0.3247518415
H    1.1655933224   2.3492995789  -1.3676763069
H   -4.8991325296  -0.1466278270  -0.3298271946
H   -5.3316754955   1.0147244529   0.9042909118
H   -0.3136058017  -0.3346118869   1.7542920948
H   -6.5483921584  -1.1249229634   1.2477837806
H   -5.0285486938  -2.0071815169   1.3369813052
H   -5.4529245511  -0.8539439051   2.5988998200
H    1.7765833146  -2.4683333110  -2.1565890266
H    0.6751312703  -2.5511986720   1.9860017727
H    0.6440318522   3.0848958398   2.3220484311
H    4.1887806350   0.9932245095   1.8187634788
*