! 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  -4.8289305353   1.7828790348   0.4195067232
F   -1.3082989943  -3.0965922856   0.4954462590
F   -2.8893195154  -2.7995579092  -0.9246072546
F   -0.8581907941  -2.3893041835  -1.4864976867
O    2.2107446846   1.8308006255  -0.4359580174
N    2.6925983563  -1.0594016844   0.1507735086
N    0.4656894849  -0.8046366313   0.4952719236
N    4.8407365968  -1.5561714316   0.1378672024
C    1.4983639123  -0.3852930114  -0.0980160679
C    1.5730962988   0.7607193918  -1.0744145465
C    2.3542266244   2.9563148526  -1.2821117707
C   -0.7617057982  -0.1657735527   0.4192423027
C    2.9889870380   4.0914172406  -0.5103752442
C   -1.8909796874  -0.8729516895  -0.0127211080
C   -0.9231879714   1.1458716976   0.8634138585
C   -3.1388822009  -0.2682831548  -0.0208843306
C    2.8398216623  -2.1831810343   0.9386774392
C    2.1644360353   4.5615269200   0.6784461932
C    3.9438368213  -0.7311384977  -0.2998830041
C   -1.7370558039  -2.2886570880  -0.4801669780
C   -2.1680285169   1.7482541957   0.8680621226
C   -3.2685934819   1.0374075498   0.4214654905
C    4.1631490853  -2.4699610707   0.9102551681
H    0.5601026369   1.0230317283  -1.3993309140
H    2.1109447923   0.4366731547  -1.9760525589
H    1.3725952343   3.2662859247  -1.6673004374
H    2.9730684317   2.6974665888  -2.1517292005
H    3.9913659183   3.7989686596  -0.1851992474
H    3.1257458228   4.9160845441  -1.2144835022
H   -0.0638081554   1.6958833115   1.2243384457
H   -4.0125734009  -0.8034157450  -0.3651769755
H    2.0045785585  -2.6615356582   1.4187449005
H    2.0790905079   3.7926353915   1.4465685618
H    2.6187108271   5.4365414581   1.1450447324
H    1.1534129424   4.8413611622   0.3742996395
H    4.1364869198   0.1203501957  -0.9315266800
H   -2.2721322434   2.7655810149   1.2200171633
H    4.6721908524  -3.2852776987   1.3997030349
*