! 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  -2.5182176033  -2.6757481247   0.0482959323
Cl  -4.4273419665   2.3562291006  -0.5831982572
O   -0.0912057000  -1.2962819868   0.8961360507
O    2.2703673661  -1.0847200189  -1.7249232927
N    2.3566678026  -0.2207809970   0.3845906615
C    0.6693647748  -1.8839933282  -0.1582333877
C   -1.0908476914  -0.4546603532   0.5196470966
C    1.8399876218  -1.0006064548  -0.5894637935
C    1.1918807651  -3.2231129357   0.3277764198
C   -3.3876556282  -0.1399090578  -0.2702620050
C   -2.3172144769  -0.9595777856   0.0932655428
C   -0.9224918604   0.9180976575   0.5968169628
C    3.4643411698   0.6353561576   0.3389745101
C   -3.1688970849   1.2350862856  -0.1731415239
C   -1.9627817973   1.7626529061   0.2581569376
C   -4.6787678408  -0.7423561550  -0.7273399315
C    3.7512746616   1.3472172011   1.5064371031
C    4.2794682954   0.8092830864  -0.7795884596
C    4.8304130153   2.2116395696   1.5588021534
C    5.3583841100   1.6809103141  -0.7111621848
C    5.6447236695   2.3853650902   0.4473556668
H    0.0492476438  -2.0296647489  -1.0473461888
H    1.8148042558  -3.1122755682   1.2161133479
H    1.7887635583  -3.6982521537  -0.4496270613
H    0.3614341129  -3.8863778645   0.5670417151
H    1.9065545847  -0.2806844803   1.2867737726
H    0.0165375545   1.3341380551   0.9360023742
H   -1.8285508577   2.8330715640   0.3264460517
H   -5.1327303870  -1.3427580961   0.0620796213
H   -4.5212271253  -1.3988614602  -1.5836961517
H   -5.4013799391   0.0125602128  -1.0217414346
H    3.1247153015   1.2212833710   2.3823242345
H    4.0900383363   0.2782032428  -1.6973341763
H    5.0334720964   2.7509843336   2.4748087048
H    5.9832002539   1.8026797001  -1.5866454329
H    6.4903241999   3.0591371508   0.4857326991
*