! 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  -4.7137772561   1.9271289224  -0.1483984359
F   -0.5391368148  -2.1244412961   1.4475804538
F   -2.5897916733  -2.6177615287   1.0434613805
F   -1.0979330660  -2.9195363604  -0.4705436680
O    2.5732091878   1.2359274192   1.3546476084
N    2.7511319790  -1.0700743302  -0.4447980582
N    0.5673234372  -0.6075712534  -0.8372308269
N    4.8145398710  -1.8454564130  -0.3692420697
C    1.5551827061  -0.4595052974  -0.0652516114
C    1.5571408395   0.2819651828   1.2581682679
C    2.4045075632   2.3917972967   0.5498754054
C   -0.6654503547  -0.0062417634  -0.6160353935
C    1.3326441727   3.3419913587   1.0555115399
C   -1.7184027070  -0.6979976111  -0.0051445960
C   -0.9004971536   1.2796581462  -1.0970713063
C   -2.9621092919  -0.0987248574   0.1392916580
C    2.9571928029  -1.7578641134  -1.6248270817
C    1.2654879994   4.5928759421   0.1922124162
C    3.9177227937  -1.1642038476   0.2698383278
C   -1.4911287208  -2.0895177777   0.5004039392
C   -2.1377663508   1.8804565657  -0.9542291385
C   -3.1620165569   1.1864353700  -0.3323938972
C    4.2272575327  -2.2208604498  -1.5543194724
H    1.7174072819  -0.4413183219   2.0618876892
H    0.5633422559   0.7091062175   1.4201806272
H    2.2065887567   2.1176705271  -0.4963362966
H    3.3744524000   2.8930304105   0.5575167071
H    0.3525459981   2.8568240252   1.0592382472
H    1.5527985074   3.6140082484   2.0910124882
H   -0.1033969419   1.8101405022  -1.6015068694
H   -3.7770615454  -0.6232211939   0.6180019303
H    2.1951744677  -1.8490986287  -2.3781346372
H    1.0398586795   4.3526536945  -0.8489095111
H    0.4886895898   5.2709836175   0.5454678535
H    2.2097998381   5.1401024907   0.2056285007
H    4.0510350570  -0.7196887117   1.2414541946
H   -2.2954010114   2.8825513793  -1.3294511394
H    4.7573136271  -2.8049073316  -2.2900589362
*