! 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   4.9713834887   2.9813810560   1.1596377838
O   -2.7566891596  -1.3290840941   1.1644421008
N   -0.9466770985  -2.7792585117  -0.6486243701
N   -0.8694994416  -3.2878811671   0.5843689057
N    0.8615139297  -3.9819067365  -0.6418815588
C   -2.2642708132  -0.7682016689  -0.0370445245
C   -3.3339957631   0.2739912437  -0.5229686869
C   -1.0109657474   0.0724320697   0.3112437819
C   -2.8445108941   1.6164661201   0.0886241364
C   -1.6484795608   1.2894168543   0.9826908733
C   -2.0296151927  -1.8971495255  -1.0472804134
C   -0.1173519080   0.4789287191  -0.8732331926
C   -4.7391966003  -0.0712023526  -0.0265873426
C   -3.4094197240   0.3921264269  -2.0486601060
C    1.1637812421   1.1092218831  -0.4028605990
C    0.0914544368  -3.2041844343  -1.3686076702
C    2.1760574272   0.3253112336   0.1480827359
C    1.3644588024   2.4844442458  -0.4687102461
C    3.3472793569   0.8888948627   0.6277625115
C    2.5301926908   3.0698091109   0.0063803806
C    0.2307197600  -3.9986042161   0.5445839575
C    3.5126932617   2.2637676351   0.5553992482
H   -0.3856457412  -0.4882515269   1.0144407652
H   -3.6400790892   2.1239460406   0.6374697741
H   -2.5413176104   2.3018966209  -0.7075872910
H   -0.9593314095   2.1293977802   1.0879349222
H   -1.9774874200   1.0282244185   1.9892618708
H   -1.7664827901  -1.5225898879  -2.0332573327
H   -2.9416508410  -2.4886314993  -1.1564381450
H   -0.6351368534   1.1754715295  -1.5349380599
H    0.1307629885  -0.3916059817  -1.4841750024
H   -4.8263683138  -0.0245440817   1.0577317150
H   -5.4538427031   0.6449669932  -0.4386762629
H   -5.0606687748  -1.0647863962  -0.3471732411
H   -3.8237911377  -0.5036747730  -2.5165827663
H   -4.0693143839   1.2199118243  -2.3153095167
H   -2.4459710493   0.5961551550  -2.5176907150
H   -2.1386890496  -2.0232316865   1.4419956105
H    0.2429915408  -2.9279524082  -2.4005017736
H    2.0571467007  -0.7506698238   0.2068577047
H    0.6003242871   3.1204742234  -0.8993166094
H    4.1200677021   0.2610009862   1.0503374022
H    2.6638568453   4.1416157536  -0.0531809977
H    0.5863734575  -4.5463992523   1.4032534298
*