! 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   1.7978449005   2.0670589841   1.6542117668
Cl   4.2207696863  -0.7211250152  -2.1842064452
O   -1.6746216471  -0.7082838356   0.9055223086
O   -0.5405911179   0.4472776105   2.4468618225
N   -1.5632807275   1.6290367946  -0.8614702659
N   -0.6493605903   2.2197201842  -1.6344580569
N   -2.1678057885   1.1573581596  -2.8900708028
C   -0.7681260346   0.3333997539   1.0699204218
C   -1.4205255049  -1.6513249028   1.9433263305
C   -0.9911051951  -0.7368360532   3.0864604056
C   -2.6471064600  -2.4812646876   2.2511706339
C   -1.4350474547   1.6224424646   0.5732579842
C    0.5266533651   0.0558289014   0.3060740405
C   -3.0155958467  -3.5359157591   1.2119799294
C    1.6960873679   0.7895239694   0.4900318407
C    0.5403067745  -0.9181604498  -0.6873247074
C   -3.5306213478  -2.9956033746  -0.1150242586
C    2.8352469077   0.5550351065  -0.2648498023
C    1.6612123777  -1.1740630075  -1.4582590310
C   -2.4584289684   0.9929405668  -1.6224691778
C    2.8053507958  -0.4298187627  -1.2358803073
C   -1.0524801557   1.9133769823  -2.8397807869
H   -0.5910204790  -2.3104109130   1.6521297823
H   -1.8278818924  -0.4962169938   3.7504047767
H   -0.1896295434  -1.1734820533   3.6850743960
H   -3.4946247428  -1.8125803709   2.4367163396
H   -2.4473059006  -2.9887599696   3.2003050126
H   -0.8531241182   2.4950990628   0.8597204195
H   -2.4226825576   1.7122906289   1.0265683927
H   -3.7839855388  -4.1780294146   1.6504145335
H   -2.1520288750  -4.1847174019   1.0354801369
H   -0.3518982845  -1.4987249959  -0.8767266228
H   -4.3602305346  -2.3006569346   0.0329354220
H   -2.7596760852  -2.4726462618  -0.6813252988
H   -3.8959671353  -3.8095954564  -0.7443796793
H    3.7289916829   1.1403188598  -0.0990179022
H    1.6331963535  -1.9394053619  -2.2213987965
H   -3.2915217765   0.4409935006  -1.2164741570
H   -0.5258603497   2.2519696435  -3.7186820311
*