! 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   1.0338548205  -0.8735642165  -2.2070148403
Cl   5.8102975517  -0.1748053537   0.0474344500
O   -0.8726823141  -0.7943849001   0.0104021269
O   -0.5784555031   0.5812601835   1.7428739086
N   -2.0698358403   1.7399837684  -0.4199399607
N   -2.8189425994   1.2608033363  -1.4154521408
N   -4.1080112062   2.2392300840   0.1307575504
C   -0.2049122419   0.3582799842   0.4179885579
C   -1.3828450982  -1.4904978550   1.1461020460
C   -0.8072100486  -0.6951701503   2.3149210812
C   -2.9004672233  -1.5226178985   1.1280030147
C   -0.6422094396   1.5739660296  -0.4060843299
C    1.3114642822   0.1951083469   0.2965478537
C   -3.4968916877  -2.1415262394  -0.1284007173
C    1.9351903459  -0.3463824382  -0.8265916436
C    2.1336082270   0.6434779525   1.3262242864
C   -5.0176710172  -2.1428971217  -0.0952868287
C    3.3147109965  -0.4659328141  -0.9097414457
C    3.5129149521   0.5380639676   1.2693495578
C   -2.8513969900   2.3173517271   0.4971057077
C    4.0920355858  -0.0255643662   0.1466815711
C   -4.0315251255   1.5834761294  -1.0455787562
H   -0.9893309551  -2.5115458576   1.1331853122
H   -1.4991992606  -0.5834761046   3.1494899692
H    0.1230983084  -1.1339333951   2.6914595508
H   -3.2915725218  -0.5082705890   1.2643599940
H   -3.2232203456  -2.0946488881   2.0045608239
H   -0.3075226438   1.4838085742  -1.4368990082
H   -0.1817067465   2.4695915478   0.0114835404
H   -3.1318867673  -3.1676145780  -0.2404659050
H   -3.1515677926  -1.5897386484  -1.0046842537
H    1.6894426504   1.0905617159   2.2047975916
H   -5.4381239123  -2.5717992763  -1.0060932255
H   -5.4008271608  -2.7226926342   0.7472185457
H   -5.4120380028  -1.1289789129   0.0010364807
H    3.7719284264  -0.8954209597  -1.7904077082
H    4.1197792216   0.8931519238   2.0906263344
H   -2.4672282622   2.7828075774   1.3905653298
H   -4.8932184370   1.3446670076  -1.6496871674
*