! 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  -0.3334895560  -0.3478792464   2.1804511938
Cl   4.1047296750   1.6490544608  -0.0201377450
N   -1.1581588379  -2.1558296536  -0.8120113024
N   -1.7669552561  -2.9166996420   0.0991719173
N    0.3703491481  -3.5388060466  -0.1330381789
C   -1.7415106523   0.2333511866  -0.5525712133
C   -2.5897136965   1.3434617987  -1.1821553629
C   -1.8305842246  -1.0299892516  -1.4174441367
C   -0.2941186692   0.6191716886  -0.3671476697
C   -2.5615274454   2.6712411381  -0.4327519754
C    0.4248894415   0.3820645478   0.8013449730
C    0.4135244822   1.1832824573  -1.4288204918
C   -3.0326816594   2.5816053806   1.0110790655
C    1.7719417681   0.6968847582   0.9237573991
C    1.7556743231   1.5047630170  -1.3443304974
C    0.1168572311  -2.5313780235  -0.9344899893
C    2.4254208713   1.2575725526  -0.1570587583
C   -0.8154518139  -3.7324819710   0.4752918179
H   -2.1774216975  -0.0133351816   0.4166159597
H   -2.2833404770   1.5087177049  -2.2193768640
H   -3.6212225327   0.9821146087  -1.2316136248
H   -1.3887259234  -0.8593700598  -2.3999492914
H   -2.8727002000  -1.3094246756  -1.5692170933
H   -1.5551582367   3.0973590773  -0.4632336713
H   -3.1989454565   3.3748268739  -0.9740289897
H   -0.0986792002   1.3780975797  -2.3627024691
H   -3.0717186739   3.5709419647   1.4689728099
H   -2.3697363640   1.9725173743   1.6278748133
H   -4.0333843508   2.1495366262   1.0784966146
H    2.2983537721   0.4999745503   1.8471354411
H    2.2661658638   1.9398033204  -2.1921077633
H    0.8058080189  -2.0572940973  -1.6160609862
H   -0.9841610245  -4.5004075085   1.2140978022
*