! 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   0.6302793331  -1.3245271467  -2.2987526703
Cl   4.8707619723   0.8263527631   0.1066822543
O   -1.4626432841  -1.4821253753  -0.2163180312
O   -1.6271676597   0.1152021182   1.3275581696
N   -1.2960125148   2.1090788463  -0.8583271634
N   -0.3096845527   2.5534556944  -1.6402300582
N   -0.9159681925   4.1310404629  -0.1733473576
C   -1.0958397513  -0.1662420980   0.0691348352
C   -1.7775580121  -2.1659561617   0.9978993401
C   -1.5485179759  -1.0936403551   2.0653622250
C   -3.2068868215  -2.6795696106   0.9323610387
C   -1.7701225870   0.7536757586  -0.9567822349
C    0.4214189744   0.0227756778   0.0711898472
C   -3.5800235874  -3.6049498502   2.0883243780
C    1.2524888721  -0.4441146674  -0.9440701053
C    1.0167851974   0.7622482966   1.0886538968
C   -2.8581160255  -4.9456864037   2.0711831575
C    2.6187091262  -0.2071489162  -0.9393085659
C    2.3770724070   1.0164748942   1.1193450854
C   -1.6430540291   3.0572491106   0.0170895772
C    3.1690786122   0.5234075023   0.0986620638
C   -0.1165607219   3.7681024104  -1.1968041545
H   -1.0738585135  -2.9931913302   1.1226854611
H   -2.3151380837  -1.0734764379   2.8399084016
H   -0.5733571150  -1.2026232130   2.5509443205
H   -3.3486886140  -3.2126473055  -0.0126143403
H   -3.8877521098  -1.8222406862   0.9125982042
H   -2.8488367154   0.7328439479  -0.7986950424
H   -1.5719576803   0.4060382220  -1.9678811792
H   -4.6570735675  -3.7827477936   2.0469979375
H   -3.4029895516  -3.1048603691   3.0458874475
H    0.4057952280   1.1604008775   1.8866547726
H   -3.2106452468  -5.5881738068   2.8792600834
H   -3.0313577724  -5.4759330762   1.1324892002
H   -1.7788839471  -4.8428782755   2.1946894672
H    3.2402875489  -0.5833083298  -1.7399432499
H    2.8041270865   1.5931251846   1.9279679611
H   -2.4208685063   2.9263733264   0.7528625038
H    0.6245822515   4.4210437394  -1.6312307508
*