! 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  -0.8193603231  -0.2341237258   2.2302424091
F    5.8811528149  -0.1722460606  -1.0291984417
F    5.0449451781  -1.1481521904   0.6845384719
F    4.1959341179  -1.4750848196  -1.2708386453
F   -4.5993317268   2.5698930351  -0.2638025518
F   -5.7366533049   1.1496833974  -1.4147862217
F   -5.9440529470   1.2190472633   0.7253504067
O    2.1775555656  -1.7254081873   0.8245692894
N    0.8047222223  -1.1610734215  -0.8756807788
N   -2.9107111185  -1.7088629143  -0.7843215933
C   -0.9176858070  -2.6167062517   0.1961288922
C    0.1066736329  -2.4268767479  -0.9243833093
C   -1.9788447956  -1.5627468199   0.1514442689
C    2.4219182118   0.4414692177  -0.1190919817
C    1.8009634710  -0.9215635677  -0.0120084461
C    3.8013071076   0.6215130772  -0.2689101814
C   -2.0070370330  -0.4505808115   0.9956324548
C   -3.9547694897   0.3198498353  -0.1267704946
C   -2.9988246388   0.5010503237   0.8600173069
C    1.6056735755   1.5579377764   0.0149187210
C    4.3350200829   1.9031357843  -0.2620915491
C   -3.8688526994  -0.8093545086  -0.9258609983
C    4.7261352527  -0.5462192862  -0.4651851964
C    2.1446462330   2.8361365452   0.0289636456
C    3.5110089668   3.0078249691  -0.1031585566
C   -5.0603564323   1.3138916679  -0.2765827385
H   -1.3916559561  -3.5883268816   0.0464196039
H   -0.4152662731  -2.6491965422   1.1608195904
H    0.8247767456  -3.2475474690  -0.8886435053
H   -0.3932743478  -2.4806127600  -1.8901706942
H    0.5906452827  -0.4727618265  -1.5789352196
H   -3.0179843574   1.3615569255   1.5164508564
H    0.5370473728   1.4339058451   0.1298421155
H    5.3974970423   2.0596935035  -0.3855768705
H   -4.5915456041  -1.0051891863  -1.7083423127
H    1.4939398728   3.6922947262   0.1461937024
H    3.9427538939   3.9994096377  -0.0935301173
*