! 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  -1.6106540373   0.8262172729  -3.0954242105
Cl  -2.9680199248   3.5630165289   1.2895228535
F    2.8029904419  -0.2956687666   1.5652570944
F    4.0257674869  -1.2712728062   0.0792656999
F    4.9984790572   1.1219843761   0.8819609675
F    3.1473148376   2.1191804261   0.2893551429
O    2.1400212488  -0.2648873957  -0.5680004705
N   -1.4971101802  -2.6751487132  -0.1403412944
N   -0.7948323821  -3.4311432459   0.7073731180
N   -2.7912747107  -2.9260563034   1.5825596243
C    0.0065106229  -1.0314070971  -1.2557599986
C   -0.9385493727  -2.2337727411  -1.3948780971
C    1.2954688025  -1.4243836149  -0.5528172012
C   -0.7071072419   0.1374926750  -0.6226124664
C   -1.4784483162   1.0212038937  -1.3760990095
C   -0.6805560466   0.3511995264   0.7533368924
C    3.1812736083  -0.2242673050   0.2638056146
C   -2.1757839117   2.0754945702  -0.8067157441
C   -1.3679929616   1.3907226586   1.3552429086
C   -2.6815316095  -2.3753166360   0.3974415465
C   -2.1089115430   2.2508162748   0.5638387635
C    3.9561643040   1.0706432542   0.0231916194
C   -1.6099685633  -3.5566633373   1.7241666413
H    0.2816087421  -0.7688263622  -2.2803955250
H   -1.7670434838  -1.9741467906  -2.0520967885
H   -0.4177928896  -3.0743509526  -1.8531880595
H    1.1289336689  -1.7783577110   0.4648662350
H    1.7707747285  -2.2344317011  -1.1103023817
H   -0.1108458213  -0.3074490293   1.3947086496
H   -2.7590301340   2.7444125250  -1.4242223191
H   -1.3198974374   1.5230395439   2.4270015340
H   -3.4214787429  -1.7731788738  -0.1064895166
H    4.3237112735   1.1428013807  -1.0010353636
H   -1.3440229378  -4.1301831127   2.5985593655
*