! 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   0.6625229903  -1.0662792465  -2.1955426648
Cl   5.2890255808  -0.8627037497   0.4881404821
O   -1.0125569442   1.2396093048   1.1716884775
N   -2.8288326339  -0.8309767324   0.4702505398
N   -4.8824610168  -0.1510424656   0.8861710126
C   -0.6370827535   0.2397412429   0.2670228554
C   -1.4114235350  -1.0240853815   0.6457733235
C    0.8522106841  -0.0241957039   0.3050095224
C    1.5255638412  -0.6222592680  -0.7562443452
C    1.6005853772   0.2990210572   1.4322147686
C   -3.5129101965  -0.9176283314  -0.7109463531
C   -3.6937483656  -0.3514034526   1.3903206334
C   -1.0235204896   2.5539779183   0.6363650450
C    2.8851047887  -0.8867542460  -0.7173369363
C    2.9606323635   0.0482675261   1.5034689362
C    3.5915782706  -0.5437127276   0.4227113926
C   -4.7804171060  -0.5000211371  -0.4307623237
C   -2.1595247786   2.7553683755  -0.3158300453
C   -2.0098282749   3.1750202288  -1.5654141260
H   -0.9240732782   0.5203119626  -0.7551563723
H   -1.0897844239  -1.8696407118   0.0389448126
H   -1.2141623911  -1.2828130898   1.6870744050
H    1.1122091405   0.7651252120   2.2772806503
H   -3.0541981213  -1.2718534571  -1.6196992520
H   -3.4020314829  -0.1796904132   2.4149099880
H   -1.1325690154   3.2175726551   1.4969962196
H   -0.0680559453   2.8014859676   0.1575952768
H    3.3801942889  -1.3493231131  -1.5600717965
H    3.5159740328   0.3140379884   2.3922408668
H   -5.6218422734  -0.4417019568  -1.1042269539
H   -3.1522908846   2.5450880295   0.0709419922
H   -2.8603918005   3.3293621402  -2.2167700973
H   -1.0332627896   3.3892187819  -1.9843199573
*