! 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  -0.6922940189   0.1632523275  -2.4487045097
Cl  -5.3315208039  -0.8882352848   0.0286219275
O    0.8641318427  -2.2079935867   0.3226259016
N    1.4352807127  -0.9711317613   0.3698243665
N    4.4880254226   1.9791822141   1.7691991513
C    1.0612612742   1.3941194823   0.3492997840
C    0.5886593996  -0.0307709893   0.2946611546
C   -0.8753137397  -0.2542081082   0.2116456225
C    2.5495189859   1.5466311075   0.4228119065
C   -1.5629351422  -0.1710694028  -0.9916480618
C   -1.5994936855  -0.5502486344   1.3616456962
C    3.3598569544   1.3877044600  -0.6949924591
C    3.1757401406   1.8412295998   1.6270540859
C   -2.9339309629  -0.3598708367  -1.0650822275
C   -2.9685646071  -0.7468064062   1.3198027585
C   -3.6221083472  -0.6474838459   0.1015080345
C    4.7303279276   1.5307498899  -0.5614227421
C    5.2466324786   1.8236334139   0.6923404843
C    1.8596349705  -3.2049911082   0.4420828987
H    0.6654578909   1.9268345834  -0.5205279959
H    0.5906234301   1.8687883017   1.2158708361
H   -1.0832275413  -0.6259469435   2.3098651767
H    2.9240403113   1.1585896347  -1.6602628837
H    2.5785710606   1.9759246077   2.5241643769
H   -3.4502039614  -0.2894334529  -2.0123421498
H   -3.5136922234  -0.9768415459   2.2245659195
H    5.3909842371   1.4174780449  -1.4102586732
H    6.3158930006   1.9395735307   0.8306928785
H    1.3354736454  -4.1591172536   0.4212330415
H    2.4071290801  -3.1247972072   1.3842716881
H    2.5700915923  -3.1751267707  -0.3877214807
*