! 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   1.0557680754  -1.4345227769   2.0942408919
Cl  -6.9845898522  -0.0334092780   0.9999595323
O    3.7692836506  -1.0874020144   1.0101967763
O    4.1449768365   0.2454486982  -0.7224366905
O   -1.9520873390  -0.7411007905  -1.9105468799
N    2.5213939370   2.3186558819   0.6550250577
N    1.2275452731   2.5418355142   0.8959145212
N    2.0048961934   3.9983947869  -0.6156029865
C    3.2352740056  -0.0108459414   0.3070043430
C    4.4893815464  -1.9103247449   0.0941009212
C    3.2080708698   1.2000066635   1.2465430524
C    4.6214529309  -1.0190511877  -1.1518670716
C    1.8465824421  -0.2940608716  -0.2627735039
C    3.7823038516  -3.2215673575  -0.1686343901
C    0.8182130382  -0.8828409675   0.4685898360
C    1.5343075096   0.1401204106  -1.5480281263
C   -0.4549929374  -1.0487424399  -0.0520455702
C    0.2676398310   0.0072090037  -2.0867139807
C   -0.7285223827  -0.5870575785  -1.3309197914
C    2.9705145270   3.1887646668  -0.2541955546
C    0.9621743235   3.5577415606   0.1167849916
C   -3.0913754864  -0.5646615472  -1.1771280102
C   -4.1617160579  -1.3988591931  -1.4642178813
C   -3.2168383114   0.4397287369  -0.2253669091
C   -5.3659800049  -1.2314479335  -0.7997289360
C   -4.4174390384   0.5991380324   0.4479973672
C   -5.4843301996  -0.2367870296   0.1577691499
H    5.4677038283  -2.1054235708   0.5405521543
H    4.2302258583   1.4894608589   1.4919564932
H    2.6963619169   0.9490197213   2.1730825796
H    5.6515794218  -0.9051350327  -1.4883550731
H    4.0266110070  -1.4047279968  -1.9879594009
H    3.6484897627  -3.7892647319   0.7523944852
H    4.3789718008  -3.8324280224  -0.8483949555
H    2.8024994673  -3.0718353490  -0.6250884900
H    2.2966936886   0.6144745655  -2.1500037398
H   -1.2203502360  -1.5304753970   0.5422401598
H    0.0555995355   0.3654896948  -3.0855075677
H    3.9898549253   3.2004240657  -0.6067928816
H   -0.0196289778   4.0038387561   0.0778054845
H   -4.0586808960  -2.1759539027  -2.2106498166
H   -2.3935659454   1.1059729695  -0.0003373063
H   -6.1991302700  -1.8823080783  -1.0274492810
H   -4.5135837851   1.3802449977   1.1897419319
*