! 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  -5.4056605932   1.3722626026  -1.8027684096
O    1.5745530256   1.4970794998  -0.2359319543
O    2.1927353654  -1.6882042490   2.3245373341
N    1.8229869819  -0.6767051471   0.3243970364
N    1.9861026800  -3.0113962316   0.4960623839
N    2.6512420639  -5.0481472024  -0.0023110968
C    1.6440921957   0.6876315153   0.9121737904
C    1.9768140228  -0.5885414342  -1.1513425022
C    2.3455868253   0.8911774255  -1.2399792319
C    0.3134120793   0.7614018818   1.6598545320
C    2.8363929597   1.1196523475   1.7649122802
C    3.1034956613  -1.4311865882  -1.7307762952
C    0.6662112368  -0.8402085264  -1.8920215702
C   -0.0699538494   2.1194107671   2.2450022654
C    2.0132869790  -1.7308200954   1.1252645821
C   -0.5398328466   3.1916923716   1.2540955451
C   -1.7504478574   2.7672625668   0.4701481681
C    0.9143602393  -3.6338255829  -0.0970520108
C    2.9954604343  -3.9206139354   0.5478379783
C   -1.6563704302   2.3540601228  -0.8560422666
C   -3.0068415938   2.7426363025   1.0734968650
C    1.3503627151  -4.8873397743  -0.3966297584
C   -2.7718523704   1.9263620718  -1.5627778229
C   -4.1333786633   2.3178992301   0.3863614425
C   -4.0042774829   1.9086235744  -0.9319252262
H    3.4210756068   1.0396107250  -1.0774452607
H    2.0854496238   1.3295834990  -2.2029003692
H    0.3597382154   0.0501352181   2.4853834473
H   -0.4758976524   0.4057852368   0.9920706373
H    2.8110490584   2.2023192352   1.8917775134
H    3.7861534524   0.8677104379   1.2907086868
H    2.8266815018   0.6683857778   2.7531614872
H    4.0097798802  -1.3749743632  -1.1267130495
H    3.3485575058  -1.0417422191  -2.7207915368
H    2.8331211953  -2.4766278707  -1.8666837041
H   -0.1527719670  -0.2440670063  -1.4882331049
H    0.7843958870  -0.5762774379  -2.9440461349
H    0.3718368931  -1.8866747829  -1.8607859980
H   -0.8792691768   1.9413855904   2.9582058659
H    0.7528842001   2.5242119056   2.8390158429
H    0.2651673004   3.4698204352   0.5754810587
H   -0.7817791046   4.0896466081   1.8283928315
H   -0.0488699007  -3.1647749290  -0.1977208889
H    3.9589168453  -3.6838438485   0.9726447745
H   -0.6952867324   2.3619883576  -1.3530590530
H   -3.1166969088   3.0657463515   2.1023459235
H    0.7925221178  -5.6827099891  -0.8658384741
H   -2.6747822462   1.6101823908  -2.5928757919
H   -5.0988729255   2.3102958193   0.8743607674
*