! 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   0.7793751620   2.1485411825   1.0486650725
Cl   4.8214938987  -0.5747981279  -1.0700317469
O   -1.5853737683  -1.6011364198   0.2397140035
O   -1.4648015236   0.3393767230   1.3014097028
N   -1.5135540486   1.7154981653  -1.2748182699
N   -0.4966294533   2.0598912091  -2.0679513313
N   -1.4383713859   3.8792696817  -1.1649341212
C   -1.1080801762  -0.2941065100   0.1190108748
C   -1.5490090988  -1.9627942743   1.6221397085
C   -1.2828122978  -0.6209410445   2.3255727934
C   -2.8624320002  -2.6124201287   2.0109349957
C   -1.8674751003   0.3405684786  -1.0491571108
C    0.4056952138  -0.3101382963  -0.1185928322
C   -3.2160341252  -3.8649727825   1.2144225142
C    1.2878257413   0.7083025850   0.2373211647
C    0.9441077506  -1.4082698855  -0.7869276656
C   -2.2095821061  -4.9974369974   1.3607456369
C    2.6448828415   0.6287179039  -0.0477918552
C    2.2896772757  -1.5100219972  -1.0898881902
C   -2.0621339609   2.8091933990  -0.7391862103
C    3.1334335239  -0.4808543499  -0.7112770274
C   -0.4867812426   3.3639317167  -1.9684336035
H   -0.7152210582  -2.6506334417   1.7961720573
H   -1.9901477047  -0.4082040491   3.1277832210
H   -0.2703166063  -0.5746968705   2.7392461991
H   -3.6648910516  -1.8738673504   1.9144299513
H   -2.8016052641  -2.8649037641   3.0743901766
H   -2.9360770272   0.2877077943  -0.8387990369
H   -1.6753581366  -0.2173830942  -1.9644596963
H   -3.3365880642  -3.6122660775   0.1579716301
H   -4.1961480482  -4.2127468130   1.5505467253
H    0.2931208965  -2.2189281593  -1.0841082645
H   -1.2402463097  -4.7506761558   0.9243091232
H   -2.0429707852  -5.2498837344   2.4102612194
H   -2.5626994390  -5.9002015054   0.8602378483
H    3.3079732024   1.4309541521   0.2450925790
H    2.6663816319  -2.3795747836  -1.6100731011
H   -2.9030508008   2.7745483817  -0.0646494064
H    0.2282902580   3.9688218644  -2.5041876800
*