! 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   1.3370504721   0.1567305587  -2.1566509812
Cl  -5.3779259352   0.1018752329  -0.1527427976
O    0.6326708655  -0.0072704196   2.3525486235
N    1.1235832995  -3.4804298161  -0.4987642183
N    3.1901574714  -2.5958908424   0.2102829180
C    0.5621348267  -0.0042507344   0.9424216584
C   -0.9313879482   0.0583139908   0.6371097087
C    1.3080228551   1.2128870516   0.3779572871
C    1.2043799390  -1.2978922197   0.4442132995
C   -1.7963579962  -0.7624140191   1.3622964983
C   -1.4763248716   0.9041433328  -0.3197216294
C    1.7139724863   1.3502464933  -0.9516500477
C    1.5976834113   2.2724343636   1.2363485558
C    0.5188577197  -2.3616811102  -0.1216203587
C    2.5740548659  -1.4853969625   0.5849843347
C   -3.1602384024  -0.7554370232   1.1259317703
C   -2.8418555143   0.9231945975  -0.5689726274
C    2.4072394650   2.4688190947  -1.3922692750
C    2.2814603357   3.3986411754   0.8078552639
C   -3.6742973174   0.0889940103   0.1541088329
C    2.6982143579   3.4944144833  -0.5093207911
C    2.4310082565  -3.5437617962  -0.3159824382
H   -1.4147752499  -1.4309604462   2.1225777724
H   -0.8560403454   1.5834107731  -0.8861746911
H    1.2798660966   2.2190419435   2.2679128558
H    1.5416048546  -0.1623591758   2.6377424733
H   -0.5483956515  -2.3153837911  -0.3006392273
H    3.2091292185  -0.7074177009   0.9998485898
H   -3.8112248444  -1.4028114353   1.6976320412
H   -3.2420480031   1.5914482748  -1.3190396998
H    2.7130004373   2.5380601368  -2.4274221732
H    2.4880313325   4.1973111905   1.5076783549
H    3.2397133307   4.3637064999  -0.8576785586
H    2.9279110798  -4.4548616198  -0.6274544647
*