! 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  -0.6147473153   2.4677026985   0.3993856809
Cl  -4.5088480742  -0.5970574037  -1.6864171648
O    0.5790358092  -0.0050364811   1.1525124368
O    4.9856548656   0.9833360482  -0.1179083213
O    4.6858425151  -0.6172131362   1.4021968101
C    2.2592609950  -1.5047460389   0.1937158050
C    1.4711447745  -1.0829933609   1.4209741105
C    3.1099369253  -0.3976766540  -0.4096713546
C   -0.5597018714  -0.2251770395   0.4858080164
C    4.3227460935  -0.0441797870   0.4042560618
C   -1.2715593070   0.9060452732   0.0711091689
C   -1.0992776947  -1.4753333970   0.1953358299
C   -2.4808596316   0.8027256872  -0.5898636017
C   -2.3097043122  -1.5931040778  -0.4712491865
C   -2.9948240974  -0.4563444277  -0.8579078998
H    1.5835204813  -1.8796855281  -0.5779682568
H    2.8852865297  -2.3530075428   0.4784640385
H    2.1327869670  -0.7050106946   2.1990065022
H    0.9379459930  -1.9351233377   1.8508409996
H    2.5226759281   0.5082266699  -0.5815473333
H    3.4634486085  -0.7013144801  -1.3995328889
H   -0.5920744615  -2.3834057366   0.4902534371
H   -3.0096661314   1.6957251310  -0.8934818144
H   -2.7064566055  -2.5767799077  -0.6810241240
H    5.7719142145   1.1757153896   0.4151397119
*