! 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   0.9697594199   1.7136198950   2.0959478054
Cl  -6.9980841774  -0.3603425810   0.9122027677
O    4.0264788084  -0.1371808899  -0.6569369851
O    3.6931717261   1.2791966154   1.0330566791
O   -2.0362759619   0.9834546637  -1.8941435664
N    2.3231997577  -2.0832589630   0.7551481788
N    1.0167064708  -2.2668892872   0.9580136256
N    1.8025060750  -3.7761381826  -0.4964892898
C    3.1244345819   0.2043567491   0.3591183492
C    4.9147839333   0.9603785560  -0.8926282357
C    3.0205847553  -0.9684359437   1.3425379475
C    4.3696253272   2.0350806234   0.0462333345
C    1.7579740845   0.5266523621  -0.2416562864
C    6.3379664466   0.5457556542  -0.5924644583
C    0.7335952711   1.1415895679   0.4763295353
C    1.4519159455   0.0901091457  -1.5268659703
C   -0.5334949540   1.3157108564  -0.0540480317
C    0.1874394990   0.2259727902  -2.0727048220
C   -0.8052752162   0.8338425309  -1.3257923912
C    2.7775652735  -2.9851813397  -0.1190834659
C    0.7506676689  -3.2940716383   0.1947911603
C   -3.1569557192   0.6509094668  -1.1892277614
C   -3.1778280505  -0.3659416810  -0.2429110237
C   -4.3175381109   1.3468552644  -1.4965168211
C   -4.3633567490  -0.6736292790   0.4061263279
C   -5.5041245810   1.0309565323  -0.8561611258
C   -5.5185401522   0.0262880657   0.0977946188
H    4.8255259634   1.2693209628  -1.9373029236
H    2.4798186777  -0.6763454640   2.2396041058
H    4.0220478523  -1.2816854030   1.6369421476
H    5.1464684737   2.6265220625   0.5302818395
H    3.6839296153   2.7168932302  -0.4689311094
H    6.6294914032  -0.3226722738  -1.1849458688
H    7.0239970110   1.3569859915  -0.8403613201
H    6.4720208522   0.3028291117   0.4634074855
H    2.2142456303  -0.3951864568  -2.1193302842
H   -1.2995578676   1.8135982556   0.5267704191
H   -0.0238076671  -0.1435282367  -3.0673898990
H    3.8065943049  -3.0306757360  -0.4380163374
H   -0.2411246177  -3.7141301740   0.1320793486
H   -2.2859292480  -0.9285893636   0.0005475768
H   -4.2970319068   2.1339423749  -2.2384232543
H   -4.3761316685  -1.4638129988   1.1442984861
H   -6.4055866520   1.5761383028  -1.0992847041
*