! 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   5.3607827809   4.3374211526  -0.5869541465
O   -1.2027897453  -1.1006548202   1.5559344147
N   -1.2253934315  -3.2688963213  -0.4491856842
N   -1.5698354011  -3.7901746248   0.7322486961
N   -2.3691023888  -5.0502199422  -0.9288813865
C   -1.1311360435  -0.8633125734   0.1692643388
C   -2.5126942956  -0.5232406167  -0.4900685118
C   -0.2818298089   0.4109700123  -0.0398341487
C   -2.4556721259   0.9878050604  -0.8066661414
C   -1.3133991007   1.5319821590   0.0386903705
C   -3.7638793562  -0.9495811645   0.3025936711
C   -0.4512164855  -2.0474727732  -0.5304358856
C    0.9111219643   0.5356199537   0.8976625323
C   -4.1079670290  -0.0605227867   1.4956336246
C   -4.9635674500  -1.0263524764  -0.6390190421
C    1.9825152021   1.5172654418   0.4873793707
C   -1.7105463743  -4.0291898589  -1.4294721240
C    1.9246925759   2.3063500616  -0.6563659681
C    3.1163610729   1.6328397941   1.2936487787
C    2.9547592901   3.1773426117  -0.9913835992
C    4.1548634706   2.4905969935   0.9768063114
C   -2.2571706157  -4.8547831823   0.3955764238
C    4.0649114055   3.2616704348  -0.1726285110
H   -2.5623604565  -1.0670731477  -1.4391897302
H    0.0832991222   0.3709959035  -1.0742822033
H   -3.4014303961   1.5005530548  -0.6266277202
H   -2.2237695103   1.1388419160  -1.8638335020
H   -0.9401657930   2.4924848801  -0.3202461121
H   -1.6263701788   1.6791997574   1.0769101890
H   -3.5987152535  -1.9630463335   0.6828239247
H    0.5331983965  -2.2375373538  -0.0970206087
H   -0.3103249325  -1.8314313015  -1.5882744790
H    1.3956767739  -0.4379624862   1.0179447498
H    0.5638744698   0.8062469429   1.8979378465
H   -1.5255442860  -2.0009669416   1.7081530523
H   -3.2786586975   0.0464446995   2.1908917561
H   -4.4159464347   0.9394896060   1.1834445407
H   -4.9471820847  -0.4875278457   2.0487732949
H   -5.1856326225  -0.0558329456  -1.0899341426
H   -5.8617405324  -1.3485192542  -0.1081790062
H   -4.7935435945  -1.7347820813  -1.4525540307
H   -1.5573575817  -3.8077869812  -2.4741568368
H    1.0729498377   2.2580046034  -1.3210300426
H    3.1955917005   1.0309875882   2.1914730431
H    2.8824918256   3.7787132300  -1.8875492058
H    5.0238882630   2.5527896923   1.6174770431
H   -2.6881169493  -5.5110996503   1.1354130638
*