! 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  -4.1546199252  -0.6990622133  -0.0875401877
O    1.4491429040   0.9756885977  -0.2584622117
O    3.4223230395  -1.9465765649   0.0570189706
O    2.3231827031  -0.7862824645   1.6232164920
C    2.4980925143   0.1086045184  -0.6093888529
C    0.1767737384   0.5166669777  -0.2377650876
C   -0.7860219267   1.4424527752   0.1899046246
C   -0.2001503268  -0.7636788003  -0.6211145023
C    3.7518401677   0.9525317029  -0.7769294741
C   -2.1137911365   1.0457168314   0.2286627657
C   -0.3830843795   2.8279095156   0.5933874341
C   -1.5354680776  -1.1442185837  -0.5789252069
C   -2.4833242133  -0.2370504930  -0.1522410918
C    2.7146621772  -0.9160837858   0.4944682346
H    2.2905638123  -0.4048608517  -1.5546652293
H    4.0147594760   1.4644509298   0.1488323353
H    3.5948689628   1.6976800684  -1.5559346520
H    4.5926435613   0.3296764176  -1.0775257372
H    0.5193152637  -1.4950669273  -0.9643597468
H   -2.8659524129   1.7498422245   0.5616829591
H    0.3346746694   2.8187572059   1.4154811556
H    0.0833097223   3.3691921723  -0.2322434208
H   -1.2489605633   3.4036248972   0.9165124438
H   -1.8153772258  -2.1439140511  -0.8807363401
H    3.6039006436  -2.5653650014   0.7815553143
*