! 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  -0.7862845529  -0.8326734290   2.3657392738
Cl   2.0229462338  -4.2180538204  -0.6349030058
O   -1.8394341329   1.1959446109   0.4749295335
O   -0.5582963443   1.8438670104  -1.2573228789
N    1.6697494420   2.2011454534   0.5588266250
N    2.0570184495   3.1135534223  -0.3344023813
N    3.7772128653   1.7994959636   0.2356783719
C   -0.5274864881   1.2309053477  -0.0009873557
C   -2.7271224700   1.4293119581  -0.6171831375
C   -1.8723250940   2.3166477881  -1.5057499757
C   -3.1761276586   0.1412637607  -1.2907155309
C    0.2966299987   2.0891479714   0.9770005909
C    0.0786518236  -0.1632856772  -0.1464234739
C   -3.8620003567  -0.8536023171  -0.3605336606
C    0.0184539291  -1.1264797031   0.8593944814
C    0.7770860704  -0.4991598770  -1.3032097326
C   -5.1975635581  -0.3675575619   0.1828958481
C    0.6081031696  -2.3743259531   0.7170763589
C    1.3783438223  -1.7344236041  -1.4707595758
C    2.7046469309   1.4220564649   0.8858850517
C    1.2846270259  -2.6667968175  -0.4531649038
C    3.3245814469   2.8373580543  -0.4949671942
H   -3.5850564559   1.9754645864  -0.2201980835
H   -2.0894459723   2.2115421695  -2.5694406193
H   -1.9650024278   3.3736831214  -1.2354563473
H   -2.3212823567  -0.3396054412  -1.7762840891
H   -3.8636712096   0.4185481647  -2.0967092307
H    0.2737975666   1.6649832608   1.9795235289
H   -0.1305509174   3.0905003089   1.0324127085
H   -3.1952941369  -1.1061051037   0.4667394286
H   -4.0197214137  -1.7834869983  -0.9118671171
H    0.8591731050   0.2206343985  -2.1046655879
H   -5.6711101231  -1.1317697539   0.8010484715
H   -5.0952019159   0.5242676243   0.8032310998
H   -5.8902841422  -0.1264183290  -0.6259771162
H    0.5392306512  -3.1033318563   1.5126093217
H    1.9129717878  -1.9576905187  -2.3834589271
H    2.6335202798   0.6138800349   1.5971852271
H    3.9514907644   3.4094624014  -1.1611932495
*