! 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  -0.1871890768  -0.9743244030   2.2883266931
Cl   0.5423646420  -5.2173645286  -0.8479410528
O   -0.7292298232   1.2298181502   0.4406619697
O    0.3579585850   1.3997590421  -1.5122672675
N    1.7197494419   2.7066645951   0.5623420002
N    1.1596171410   3.3313974654   1.5998159851
N    1.9566350129   4.8182465661   0.1270289784
C    0.4025769968   0.7999944379  -0.2521819087
C   -1.5689868401   1.9948705258  -0.4168762079
C   -0.9982043736   1.6980384464  -1.7946714195
C   -3.0304312556   1.6384612001  -0.2138556800
C    1.6909287676   1.2757569291   0.4325953224
C    0.4188032330  -0.7234360347  -0.3679577420
C   -3.3779664752   0.1571428548  -0.3057821870
C    0.1646195596  -1.5765867803   0.7047354151
C    0.7358893681  -1.3132532436  -1.5879237543
C   -4.8746348872  -0.0769592688  -0.1605661158
C    0.1975710366  -2.9562203304   0.5652680729
C    0.7776630078  -2.6870885227  -1.7554144718
C    2.1830172275   3.6045759540  -0.3116563936
C    0.5014396570  -3.4992643170  -0.6703870754
C    1.3265979359   4.5928248145   1.2978574915
H   -1.4342583961   3.0588404825  -0.1858861768
H   -1.4930831137   0.8543153700  -2.2881702323
H   -1.0355254337   2.5569320815  -2.4635513801
H   -3.6054833247   2.2049854486  -0.9543378151
H   -3.3486019773   2.0202746020   0.7606935151
H    2.5505173780   0.9605309058  -0.1590048431
H    1.7929241858   0.8363655355   1.4225824861
H   -2.8453301630  -0.3936388252   0.4723703724
H   -3.0446151497  -0.2611011109  -1.2591618540
H    0.9561657620  -0.6854939961  -2.4399638557
H   -5.2449483915   0.2863708149   0.8003897493
H   -5.4368942579   0.4365760003  -0.9434112897
H   -5.1195960396  -1.1381587652  -0.2245287003
H   -0.0089911824  -3.5941621846   1.4134627625
H    1.0235856605  -3.1105481655  -2.7192766793
H    2.6809298213   3.3313367001  -1.2285312765
H    0.9875535456   5.3831785115   1.9496497259
*