! 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  -0.4770048555   2.2605341765  -0.0796471499
Cl  -5.0938759366  -0.4040238748  -0.7896097420
O    0.7308843437  -0.3093855349  -0.2632493238
O    5.0650470433   0.8542958505   0.4085202761
O    5.3283288207  -0.1459350898   2.3799945336
C    2.9736063355  -1.0419878364  -0.1158078696
C    1.5356351132  -1.4801390952  -0.2797508881
C    3.2255726771  -0.3619274915   1.2299853548
C   -0.5941030186  -0.4135546102  -0.3830260982
C    4.6412228238   0.1019425893   1.4191893772
C   -1.3258455927   0.7779218776  -0.3201383009
C   -1.2917880497  -1.6029478155  -0.5676164380
C   -2.7011803350   0.7898018766  -0.4444258792
C   -2.6740918817  -1.6039871232  -0.6917123633
C   -3.3694976067  -0.4112147645  -0.6315155686
H    3.2416062244  -0.3846927292  -0.9446415481
H    3.5983662996  -1.9336678586  -0.2039716461
H    1.2392076579  -2.1579435165   0.5287673264
H    1.4153764139  -2.0123599319  -1.2290743238
H    2.9810137373  -1.0398584344   2.0482530699
H    2.5777162412   0.5140253750   1.3339719897
H   -0.7704293945  -2.5489202291  -0.6200148518
H   -3.2413084022   1.7252576299  -0.3946287131
H   -3.1938965235  -2.5409487817  -0.8359648103
H    5.9744284074   1.1478687270   0.5715502932
*