! 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   0.4874530162  -1.2023470961   2.2786330623
Cl   1.2450923563  -5.3227666306  -1.0144925956
O   -0.6639288231   0.8900844262   0.5802982621
O    0.0737657278   1.2086456749  -1.5119423469
N    1.5050193833   2.6790887017   0.4569042184
N    1.2032259034   3.1308089596   1.6763921831
N    1.2046577658   4.8119369964   0.1973671546
C    0.3965500617   0.6209289705  -0.2871644993
C   -1.7277043057   1.5223099277  -0.1261055446
C   -1.3378680195   1.2972024242  -1.5790375368
C   -3.0610437136   0.9243306233   0.2705377565
C    1.6943568925   1.2761772849   0.2023631662
C    0.5999814556  -0.8857135842  -0.4365322616
C   -4.2289908763   1.6129702335  -0.4275277153
C    0.6457989126  -1.7610087170   0.6477452668
C    0.7844702505  -1.4313577937  -1.7030705679
C   -5.5739882516   1.0462988860  -0.0007734278
C    0.8417131765  -3.1235574364   0.4791982479
C    0.9812669459  -2.7878041799  -1.9005377111
C    1.4959158619   3.6907473785  -0.4163326767
C    1.0031531208  -3.6253915215  -0.8001471358
C    1.0344315938   4.4115285507   1.4737946240
H   -1.7216830558   2.5950186221   0.1074954625
H   -1.7744503227   0.3727418733  -1.9792464751
H   -1.6013660690   2.1223379395  -2.2390152974
H   -3.1839349371   1.0128857937   1.3537679372
H   -3.0616920198  -0.1456494385   0.0376071234
H    2.4693692067   1.1479801620  -0.5535847207
H    2.0470585145   0.8140744535   1.1213331673
H   -4.1275471714   1.5169260259  -1.5132107372
H   -4.1999203417   2.6855117027  -0.2129481573
H    0.7745976683  -0.7840817922  -2.5687722222
H   -5.6524847386  -0.0160102789  -0.2395999750
H   -5.7270163461   1.1538633836   1.0747769889
H   -6.3971699745   1.5568534883  -0.5022010867
H    0.8683661392  -3.7802012125   1.3376656114
H    1.1153238694  -3.1768823189  -2.9001342507
H    1.7165159166   3.5674035456  -1.4646170198
H    0.7862022738   5.0860160028   2.2785554776
*