! 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   1.4841637092   1.7766025362   1.9567784285
Cl   4.5815723598  -0.3795573998  -1.8045928840
O   -1.7342659767  -0.8499201389   0.1944332173
O   -0.9110117572   0.0001477992   2.0823292860
N   -1.4003795952   1.8123687617  -1.0395692237
N   -0.3883256948   2.5468420647  -1.5067745857
N   -1.6429580165   1.7793326066  -3.1937542646
C   -0.8994860516   0.1531231274   0.7003038464
C   -1.8697657850  -1.8910121976   1.1674768139
C   -0.9839930754  -1.3951210955   2.3124664296
C   -3.3360512520  -2.0474830595   1.5362010981
C   -1.5166073328   1.5161127721   0.3644410638
C    0.5054274614   0.0085466873   0.1133677630
C   -3.6202202726  -3.2481720154   2.4354720731
C    1.6087120479   0.7061426581   0.6010007492
C    0.7104236738  -0.8074770996  -0.9942567650
C   -3.4030856835  -4.5977571129   1.7649085050
C    2.8631913603   0.5903434571   0.0228913862
C    1.9507724432  -0.9404388649  -1.5953315200
C   -2.1360890959   1.3538351298  -2.0561887926
C    3.0208749226  -0.2356592813  -1.0761246089
C   -0.5742194007   2.5003643819  -2.7999711472
H   -1.4759755892  -2.8189504861   0.7438234431
H   -1.4103961217  -1.5593364127   3.3019811095
H    0.0102358590  -1.8538485670   2.2873155623
H   -3.9225950289  -2.1415419141   0.6170923112
H   -3.6745583301  -1.1316923696   2.0312070253
H   -1.0234751355   2.3145090956   0.9136361595
H   -2.5689281088   1.5107191949   0.6486714434
H   -4.6581343111  -3.1826216924   2.7698405163
H   -3.0155454518  -3.1891402036   3.3460024476
H   -0.1206301170  -1.3590139147  -1.4098594532
H   -4.0146361250  -4.6962565180   0.8657726301
H   -2.3638395781  -4.7598648391   1.4744303573
H   -3.6759176248  -5.4133070957   2.4361285739
H    3.7019145859   1.1425494521   0.4235874218
H    2.0718857533  -1.5856106284  -2.4542610038
H   -3.0093895924   0.7356572682  -1.9206465960
H    0.0809136303   3.0133205699  -3.4870951047
*