! 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  -4.9807646390   1.4351124726  -2.4075620507
O    2.1247663849   1.5505379160  -0.2470284335
O    1.7053583785  -1.6058973162   2.3835133479
N    1.9088283263  -0.6198333207   0.3494889242
N    1.6610800789  -2.9452064273   0.5547635501
N    2.1112551337  -5.0664354143   0.1858082470
C    1.8513365166   0.7710513412   0.8928401798
C    2.3135488781  -0.5982177077  -1.0808141248
C    2.9429170239   0.7935090237  -1.1012955220
C    0.4354153794   1.0978417139   1.3608811832
C    2.9151479742   1.0347377754   1.9561703655
C    3.3508136892  -1.6384635555  -1.4751042938
C    1.1152942039  -0.6292851064  -2.0264117133
C    0.2077045122   2.5623609869   1.7138897579
C    1.7622926265  -1.6623906654   1.1728755899
C   -1.2478428663   2.8383186109   2.1078783291
C   -2.2186538998   2.5099517093   1.0079600683
C    0.6396152157  -3.4262930949  -0.2267292798
C    2.5053421301  -3.9837230685   0.7904263229
C   -3.0352831133   1.3852015225   1.0739229469
C   -2.2842736495   3.3003584431  -0.1379800385
C    0.9423676075  -4.7353561210  -0.4431728408
C   -3.8888045427   1.0469815394   0.0328456181
C   -3.1289421314   2.9806044294  -1.1890795149
C   -3.9248672216   1.8492430346  -1.0947038930
H    3.9838451771   0.7608464486  -0.7523357145
H    2.9324504669   1.2422486021  -2.0947167248
H    0.1957205411   0.4786434102   2.2278915024
H   -0.2532214949   0.8036732164   0.5641765452
H    3.0324743276   2.1111782083   2.0828564254
H    3.8861106678   0.6304405731   1.6676919110
H    2.6506208465   0.6129178342   2.9214860745
H    4.1482574326  -1.7252354560  -0.7364648370
H    3.8109191597  -1.3219348664  -2.4131838806
H    2.9258100578  -2.6239209356  -1.6562911266
H    1.4526420362  -0.4468028933  -3.0479281141
H    0.6144583805  -1.5943084670  -2.0266240611
H    0.3799509967   0.1364928178  -1.7789587463
H    0.8464452614   2.8583908242   2.5496997529
H    0.4779429582   3.2037518619   0.8714491057
H   -1.3409525807   3.8926498404   2.3800583934
H   -1.4982282465   2.2638960355   3.0032934040
H   -0.2111539816  -2.8290725861  -0.5044593572
H    3.3973234791  -3.8719072440   1.3873061820
H   -3.0071559142   0.7507508626   1.9518857372
H   -1.6638568348   4.1852875356  -0.2195568471
H    0.3733447714  -5.4564974843  -1.0085786755
H   -4.5127185036   0.1660467272   0.1051524358
H   -3.1641262057   3.6077186908  -2.0699530428
*