! 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   0.3347939706   1.1562588388  -2.1929766462
Cl   3.4476715997   4.1647740357   0.9118564250
O   -1.3439935910  -0.3362312990  -0.3236662714
O   -0.5157541708  -1.1345365496   1.6056877179
N   -0.2200912272  -2.9414234040  -0.5445051028
N   -0.9616664728  -3.1133435203  -1.6405089252
N   -1.3509246381  -4.7537348910  -0.1674139841
C   -0.1597004015  -0.6529438063   0.3413083627
C   -2.4624430228  -0.6444222704   0.5012948212
C   -1.8339437996  -0.6967042392   1.8815075237
C    0.6066967639  -1.7787599806  -0.3690416029
C    0.7318351522   0.5803230031   0.4530832459
C   -3.5483784420   0.3963128127   0.3400511965
C   -4.1073427629   0.4719695988  -1.0723393412
C    0.9978890230   1.4320797351  -0.6184078704
C    1.3547146766   0.8662118319   1.6640553737
C    1.8274038614   2.5356944949  -0.4848311840
C    2.1890635378   1.9596769758   1.8243597808
C   -0.4681674936  -3.9221603151   0.3289343114
C    2.4141293797   2.7909182861   0.7420280744
C   -1.6190931388  -4.2117065318  -1.3729892390
H   -2.8593849102  -1.6305922151   0.2241092316
H   -1.8328351356   0.2880571164   2.3646162502
H   -2.3103278986  -1.4129454127   2.5494549964
H    1.4809900997  -2.0494200563   0.2226950644
H    0.9568357547  -1.4597810381  -1.3476554184
H   -4.3501950337   0.1425609959   1.0395405053
H   -3.1633738127   1.3727335500   0.6474517209
H   -4.4979805024  -0.4932869466  -1.3998825401
H   -4.9253844630   1.1907747496  -1.1272744890
H   -3.3471994943   0.7839740628  -1.7885168223
H    1.1860441569   0.2197099619   2.5138146977
H    2.0115772378   3.1834897212  -1.3308326735
H    2.6540264478   2.1532786249   2.7810316766
H    0.0176213732  -3.9935259470   1.2891303187
H   -2.3152343797  -4.6433153033  -2.0755442112
*