! 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   0.9005044593  -1.1502451383   1.8260737405
Cl   3.4592957424   3.1805462809   0.1112479395
O   -2.4323236659   0.3079962051  -0.8315053943
O   -1.7953584086  -1.0576633795   0.8005690877
N    0.0178582465  -2.3874704909  -1.1333962911
N   -0.1319706214  -3.4895904411  -0.3948004024
N    2.0141716162  -3.2209276211  -0.9727065601
C   -1.3544671283  -0.4600462684  -0.3704950725
C   -3.2290477727   0.6937391079   0.2921064346
C   -2.6012318639  -0.0938519139   1.4482398061
C   -1.0934765020  -1.5281358042  -1.4402592614
C   -0.1247113926   0.4331288951  -0.1692012366
C   -3.2325868646   2.1937731625   0.5158436120
C   -3.8198062328   2.9837262691  -0.6421212880
C    0.8995940132   0.1995294649   0.7469652442
C    0.0183420603   1.5363268264  -1.0102872585
C    1.9997516243   1.0437768034   0.8393746121
C    1.1063566994   2.3865070958  -0.9449514923
C    1.3041463986  -2.2389497828  -1.4691168248
C    2.0916674207   2.1320191345  -0.0066376721
C    1.0871331167  -3.9568234322  -0.3253632399
H   -4.2502556225   0.3519889396   0.0948556433
H   -2.0026043112   0.5551810656   2.0995093320
H   -3.3366849783  -0.6100531790   2.0636794331
H   -0.8961445846  -1.0374096343  -2.3929972817
H   -1.9839184691  -2.1456174239  -1.5567143895
H   -3.8168264765   2.3818816811   1.4217914155
H   -2.2163269839   2.5363080135   0.7314341320
H   -3.8495118941   4.0486059718  -0.4094029211
H   -3.2314558463   2.8661236569  -1.5530025534
H   -4.8411773156   2.6686333622  -0.8644114831
H   -0.7483294903   1.7443165709  -1.7436798109
H    2.7753705810   0.8433553419   1.5654234269
H    1.1779962511   3.2329520915  -1.6135329670
H    1.6650103064  -1.4228590415  -2.0764926181
H    1.3201841086  -4.8649998536   0.2087328930
*