! 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  -5.3922319723  -0.6712242150   0.7188302123
O    3.6192485438   0.6017230851  -0.0874271199
O    0.2980488308  -0.5528919761  -0.6627878288
N    1.1556709935   1.5923848982  -0.4660133380
N    1.1060589691   2.6141163979   0.3907136823
N    1.0733994806   3.3572713573  -1.7192546069
C    3.0009452030  -1.6207566214   0.5336479575
C    2.6409651511  -0.3797338825  -0.3146019577
C    1.2508094418   0.2206096279  -0.0015285110
C    1.9363858487  -2.7152681966   0.4254311306
C    4.3172212582  -2.1847500991  -0.0116435062
C    3.1891267052  -1.2543143479   2.0079842223
C    1.1392945894   2.0485740339  -1.7234448141
C   -1.0067706187  -0.5108593767  -0.2858526076
C    1.0576753197   3.6516363529  -0.4037004502
C   -1.5346636735   0.3687486980   0.6513764032
C   -1.8359596724  -1.4369315009  -0.9127325278
C   -2.8881521424   0.3126544165   0.9598094950
C   -3.1827090311  -1.4883592560  -0.6072753662
C   -3.7039782468  -0.6105214531   0.3326968551
H    2.6271064878  -0.6855731975  -1.3708359228
H    1.0811936236   0.2639741060   1.0785814080
H    1.7053727877  -2.9686398455  -0.6108636148
H    2.3054022442  -3.6242532890   0.9050503059
H    1.0019664279  -2.4578273135   0.9255036432
H    4.2271609253  -2.4642978078  -1.0644422654
H    4.6021109161  -3.0835025577   0.5389672916
H    5.1388569513  -1.4739061299   0.0757671512
H    3.9979268850  -0.5393212148   2.1591754891
H    3.4362914253  -2.1494464105   2.5821630569
H    2.2857401322  -0.8361434020   2.4578461211
H    3.7488197747   1.1199942917  -0.8863254888
H    1.1683015412   1.4093396703  -2.5922529840
H    1.0012730043   4.6591261347  -0.0219998661
H   -0.9319156589   1.1142780952   1.1516710270
H   -1.4212687669  -2.1213697138  -1.6417160683
H   -3.2923959241   1.0004412885   1.6900145129
H   -3.8168004975  -2.2133016658  -1.0991555166
*