! 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   0.7455275019  -1.1398237997  -2.1312530982
Cl   5.2072105051  -0.6372959330   0.7794447283
O   -1.1426647330   1.3054137980   1.0148455532
N   -2.8926567706  -0.8759241653   0.4488540520
N   -4.8598179409  -0.6798001975  -0.5250039999
C   -0.7268552329   0.2544468471   0.1832234422
C   -1.4639470243  -1.0293659324   0.5820907491
C    0.7642548016   0.0485017881   0.3118951750
C    1.5113628309  -0.5892085154  -0.6743367437
C    1.4415986310   0.4617906833   1.4553575826
C   -3.7574144756  -0.4302548999   1.4089876863
C   -3.6043767545  -0.9997196123  -0.6942281041
C   -1.9370049590   2.3078842980   0.3985025501
C    2.8745914704  -0.8059798768  -0.5483150365
C    2.8015939513   0.2569556272   1.6134787299
C    3.5075967050  -0.3764320483   0.6048806487
C   -4.9679006738  -0.3216630355   0.7888184015
C   -1.2040151763   3.0469891581  -0.6758033177
C   -1.6325678487   3.1222802793  -1.9292688760
H   -0.9599726656   0.4764979080  -0.8652682433
H   -1.1394459742  -1.8652942688  -0.0376940113
H   -1.2348573624  -1.2879921321   1.6160586563
H    0.8981567772   0.9617358825   2.2449575228
H   -3.4456666356  -0.2428219416   2.4227180146
H   -3.1542918009  -1.3370564994  -1.6163519053
H   -2.8720563132   1.8930535915   0.0033074232
H   -2.2080202933   2.9905355744   1.2068905049
H    3.4282959546  -1.2988604505  -1.3353949009
H    3.2996949511   0.5905462672   2.5132329893
H   -5.9068336588  -0.0111235210   1.2207555559
H   -0.2824885892   3.5420559432  -0.3834753625
H   -1.0951771338   3.6832299085  -2.6834576913
H   -2.5464141881   2.6341398732  -2.2502628157
*