! 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   0.7192810573   0.4683630863   2.3755238313
Cl  -7.0647484956   1.8212090004   0.7154856171
O    3.9830981005   0.2593927682  -0.7412170887
O    3.3198145934   1.2903789667   1.1198368050
O   -2.1864726326  -0.3372239423  -1.6974408198
N    3.0020925839  -2.2961695619   0.6418534279
N    3.4933445329  -2.8110837215  -0.4859724405
N    1.7554434723  -4.0241739775   0.2383769066
C    3.1059538457   0.1529432645   0.3430829331
C    4.3703422473   1.6261874572  -0.9079949627
C    3.4977222254  -1.0649042099   1.1940995977
C    3.5981119705   2.3343371673   0.2062564223
C    1.6646451923   0.0591995909  -0.1579881370
C    5.8735829696   1.7464062392  -0.7894238254
C    0.5532212421   0.1874109242   0.6705436929
C    1.4127453102  -0.2166697740  -1.5000882010
C   -0.7454214705   0.0710875918   0.1975753940
C    0.1311325770  -0.3271208401  -2.0043725524
C   -0.9524468011  -0.1780472861  -1.1514659838
C    1.9616009406  -3.0225545873   1.0572756191
C    2.7179740736  -3.8457728508  -0.6874470680
C   -3.2943366695   0.1888456924  -1.0886443400
C   -4.3645781458  -0.6586649030  -0.8522018595
C   -3.3779622623   1.5394583635  -0.7773157587
C   -5.5336763107  -0.1550599017  -0.3025372778
C   -4.5403337688   2.0413015076  -0.2153646946
C   -5.6103134845   1.1903831314   0.0181413947
H    4.0441768525   1.9746128743  -1.8919046823
H    3.0904756961  -0.9660132310   2.1981642205
H    4.5834006107  -1.1136183918   1.2773277420
H    4.1800183895   3.1004610761   0.7186247077
H    2.6748122618   2.7921201751  -0.1650996768
H    6.3781138736   1.1030325361  -1.5114076671
H    6.1843927329   2.7724529458  -0.9907710827
H    6.2195733560   1.4774206447   0.2105657332
H    2.2441173248  -0.3449211967  -2.1779673718
H   -1.5742845907   0.1662433256   0.8861309458
H   -0.0277326740  -0.5335285713  -3.0547822003
H    1.4016315870  -2.7909789870   1.9503699662
H    2.8549779003  -4.5024587048  -1.5327115906
H   -4.2920576511  -1.7091099595  -1.1025433704
H   -2.5493554567   2.2082711905  -0.9729880290
H   -6.3706023057  -0.8156330098  -0.1220121671
H   -4.6071979031   3.0926741133   0.0286327914
*