! 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  -5.4438440713  -0.4984660975   0.2439777789
O    2.9172825323  -0.2243849069  -1.4468238291
O    0.3622139040  -0.4547649840  -0.5268836696
N    1.1973844754   1.6246657291   0.1199025631
N    1.4440571968   2.1840065021  -1.0700302101
N    1.0432209030   3.7595615208   0.4637756508
C    3.0426761382  -1.7330142582   0.4120465997
C    2.6950646857  -0.3062647718  -0.0669082427
C    1.2820261151   0.1839630408   0.2987743253
C    2.7968827580  -1.8493245569   1.9175820288
C    2.2589587609  -2.8267633659  -0.3159176391
C    4.5395080073  -1.9447062352   0.1535344804
C    0.9653924989   2.5794863040   1.0258528157
C   -0.9688417461  -0.4109266563  -0.2707644999
C    1.3370675774   3.4625601200  -0.8169022152
C   -1.5517517166   0.1742692748   0.8459476079
C   -1.7745758694  -1.0306744804  -1.2233879981
C   -2.9322493108   0.1455586561   1.0007337211
C   -3.1468356468  -1.0634188562  -1.0664701119
C   -3.7224569111  -0.4687245956   0.0477663715
H    3.3681524745   0.3700570975   0.4856810369
H    1.0925643643   0.0071444225   1.3613028309
H    3.2846398290  -1.0472689222   2.4775142652
H    1.7361207330  -1.8419843797   2.1773735979
H    3.1985527334  -2.7928809585   2.2913736455
H    2.3559620239  -2.7503461695  -1.3991809071
H    1.1966104023  -2.8190406225  -0.0731811121
H    2.6450331603  -3.8062683351  -0.0251057327
H    4.7830227717  -1.9228366420  -0.9089060200
H    4.8561022937  -2.9152997331   0.5404913001
H    5.1455496183  -1.1830306795   0.6506079280
H    2.7068577123   0.6711067215  -1.7469807755
H    0.7539296848   2.3711118866   2.0634346490
H    1.4768094635   4.2085068308  -1.5835468609
H   -0.9717849881   0.6523471911   1.6218621423
H   -1.3198429486  -1.4920471699  -2.0907783096
H   -3.3757782593   0.6087217125   1.8715610629
H   -3.7599160370  -1.5494034587  -1.8132974309
*