! 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   0.5927212609   1.9900908685   1.1936931225
Cl   5.0752402396  -0.0999832332  -0.7502511894
O   -1.3039621107  -1.8198357827  -0.2964107343
O   -1.4759104029  -0.0187657704   0.9901114765
N   -1.3811301389   1.6533685447  -1.4201416607
N   -0.3278849441   2.1584876766  -2.0661793480
N   -1.5017654698   3.7912949905  -1.0829398463
C   -0.9434851519  -0.4695416439  -0.2086822246
C   -1.5125987743  -2.3312312001   1.0231146187
C   -1.3191997186  -1.0894853584   1.9027789398
C   -2.8939204605  -2.9546182724   1.1071731471
C   -1.6369361120   0.2394177502  -1.3760720265
C    0.5809874374  -0.3321081379  -0.2754894958
C   -3.1173119237  -3.7172972885   2.4070322133
C    1.3184648515   0.7077056267   0.2878892120
C    1.2892376827  -1.2903535871  -0.9983481899
C   -4.4985256784  -4.3502260169   2.4760421348
C    2.6985685094   0.7795691081   0.1496542604
C    2.6620901732  -1.2384594316  -1.1583887499
C   -2.0696964287   2.6373565305  -0.8357392356
C    3.3584743770  -0.1951119774  -0.5746225750
C   -0.4388356966   3.4406586581  -1.8338267679
H   -0.7487171952  -3.0847288305   1.2415599432
H   -2.0690559647  -0.9859346244   2.6871497965
H   -0.3293871021  -1.0720635694   2.3713661575
H   -3.0215999015  -3.6403150304   0.2639871028
H   -3.6522072565  -2.1716723907   0.9950914252
H   -2.7125153271   0.0848125611  -1.2861544013
H   -1.3110645265  -0.1967056858  -2.3192928118
H   -2.9837002769  -3.0498300367   3.2638968607
H   -2.3546385874  -4.4954493903   2.5075766137
H    0.7547666687  -2.1112666316  -1.4557122093
H   -4.6530215163  -5.0585532127   1.6596860378
H   -4.6405266380  -4.8929485103   3.4115250997
H   -5.2864730006  -3.5973513010   2.4110577513
H    3.2462740266   1.5945268806   0.6020301769
H    3.1730931296  -2.0020019926  -1.7280344936
H   -2.9650246094   2.4662442603  -0.2591975709
H    0.2686012995   4.1528905311  -2.2295617055
*