! 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   0.4795030248   1.9798469273   1.2963516450
Cl   5.0773692146   0.1961147345  -0.6816176060
O   -1.2018243099  -1.9039237883  -0.2605849367
O   -1.4905486208  -0.1166017877   1.0312575139
N   -1.2970821423   1.5442824459  -1.4725156936
N   -2.0437762075   2.4656910248  -0.8605701759
N   -0.3867443971   3.4379398798  -2.0099528236
C   -0.9067957701  -0.5364116087  -0.1524969930
C   -1.5209486632  -2.4198106899   1.0348635768
C   -1.3319451307  -1.1959471785   1.9336627382
C   -2.9328687634  -2.9795121386   1.0247908019
C   -1.5803059553   0.1396987363  -1.3535843594
C    0.6104268363  -0.3272406372  -0.1882028125
C   -3.2678309373  -3.7614955077   2.2887705640
C    1.2833747841   0.7520914991   0.3833681768
C    1.3758081448  -1.2352304306  -0.9187688282
C   -4.6880579840  -4.3059271027   2.2721668729
C    2.6561093726   0.9123640459   0.2409884621
C    2.7417909676  -1.0946792019  -1.0821321359
C   -0.3113082705   2.1387655522  -2.1530619775
C    3.3728391802  -0.0123134845  -0.4941895859
C   -1.4624723808   3.5833125452  -1.2096945808
H   -0.8055949154  -3.2084067292   1.2888612882
H   -2.0817169349  -1.1038156994   2.7193519037
H   -0.3413570654  -1.1827342719   2.4022563985
H   -3.0422950451  -3.6383124022   0.1579938368
H   -3.6477013998  -2.1601251231   0.8891618826
H   -2.6597524961   0.0106982662  -1.2810540578
H   -1.2429258155  -0.3536543626  -2.2642393877
H   -3.1364424034  -3.1284087422   3.1716824437
H   -2.5603519340  -4.5885946272   2.4017142731
H    0.8912265470  -2.0842650060  -1.3806017810
H   -4.8528397409  -4.9637933296   1.4163785219
H   -4.9040896013  -4.8811049289   3.1735455052
H   -5.4226978863  -3.5005000551   2.2129212604
H    3.1522604896   1.7578619625   0.6972691217
H    3.2991289500  -1.8193114660  -1.6591612878
H    0.4146361177   1.5932503971  -2.7366983198
H   -1.8296422917   4.5438147644  -0.8826534440
*