! 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   5.8864452910   0.5056076626  -0.4120981174
O   -2.7365891845   0.2514763644   1.6638339351
N   -2.2879914744  -1.9102017645  -0.3247696522
N   -2.2740940659  -2.4669846162   0.8890186263
N   -0.9591860613  -3.6154529967  -0.5034652018
C   -2.9242381299   1.8495517928  -0.1575167509
C   -2.4022642735   0.4690839132   0.3222900348
C   -2.0980235457   2.0789984111  -1.4349761092
C   -0.9158270202   0.5776851072   0.0452520742
C   -0.7206695099   1.4410018026  -1.1739143665
C   -2.9818716335  -0.6651086884  -0.5550702202
C   -2.5725339425   2.9154293682   0.8836926580
C   -4.4241330581   1.8906730591  -0.4203347682
C    0.0348682715   0.0625001724   0.8157450072
C    1.4772269881   0.1781512462   0.5135498410
C   -1.4930306288  -2.5982854229  -1.1416989188
C    2.2913390404   1.0605228252   1.2210247599
C    2.0580652551  -0.6032889261  -0.4828150729
C   -1.4662364520  -3.4884996270   0.7345012486
C    3.6446734274   1.1712420083   0.9394089504
C    3.4110877534  -0.5110013437  -0.7731307400
C    4.1936633495   0.3806024112  -0.0578349702
H   -2.0231636387   3.1409485217  -1.6730352200
H   -2.5839072838   1.6085630479  -2.2932670079
H    0.0480396630   2.1928682697  -0.9844346047
H   -0.3735053383   0.8674450940  -2.0367162063
H   -2.8942773227  -0.4441922148  -1.6173855707
H   -4.0394524900  -0.8110672395  -0.3318657869
H   -1.5106974417   2.9236146350   1.1386176663
H   -2.8191952218   3.9043291309   0.4924660794
H   -3.1327553641   2.7835265009   1.8095982783
H   -4.9964545792   1.6297215997   0.4722265996
H   -4.7269639998   2.8971750672  -0.7160064379
H   -4.7317375386   1.2212797949  -1.2255711824
H   -2.6150568169  -0.6874431377   1.8715111481
H   -0.2286173376  -0.4677458495   1.7265341926
H   -1.3422634163  -2.3340081224  -2.1767085505
H    1.8647789495   1.6784608344   2.0012653131
H    1.4496534082  -1.3087263823  -1.0347349570
H   -1.2378613437  -4.1625294714   1.5452932689
H    4.2602404091   1.8675559543   1.4928360951
H    3.8448901008  -1.1310522917  -1.5461420674
*