! 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   1.5649921507   1.4093228709   2.7138842355
Cl  -7.6226889195  -0.2528398213  -2.0281284098
O    2.7665191338  -0.8392374816  -1.0198789032
O    3.4339809229   0.5944799387   0.5777048805
O   -2.7388627691   2.0006938201   0.2855916913
N    3.6948213954  -2.2192644724   1.2242631989
N    4.7127452580  -1.8116992905   1.9850460596
N    5.3379592392  -3.5330970579   0.6962366425
C    2.4452130166  -0.3390080618   0.2413160609
C    3.6976940786   0.0399337143  -1.6455627565
C    2.4326853951  -1.5329488971   1.2106075218
C    4.4128977240   0.6301787637  -0.4436398415
C    1.0714658663   0.3229730840   0.2494472213
C    4.5785331891  -0.7330100757  -2.5938202713
C    0.5972276880   1.0917021960   1.3119974318
C    0.2021672847   0.1235854801  -0.8188279131
C   -0.6815041451   1.6228472328   1.3166423289
C   -1.0749161171   0.6582454110  -0.8496340988
C   -1.5174241716   1.4043139546   0.2323013971
C    4.0832092800  -3.2403529826   0.4559355062
C    5.6741539055  -2.6284088926   1.6378666419
C   -3.8359211511   1.4187639689  -0.2853973459
C   -4.0999760495   0.0591288616  -0.1806657152
C   -4.7338066304   2.2629695852  -0.9218109670
C   -5.2658925910  -0.4552990221  -0.7253873184
C   -5.9058621522   1.7510072271  -1.4543202671
C   -6.1620905965   0.3926297953  -1.3573872158
H    3.1579812914   0.8242242198  -2.1911150840
H    1.6606295152  -2.2366835663   0.8996631330
H    2.1993461973  -1.2136736699   2.2237651021
H    5.2939660479   0.0410921856  -0.1629339020
H    4.7276831894   1.6617479816  -0.6059758385
H    5.3075287071  -0.0623071468  -3.0498485664
H    5.1242227282  -1.5245095042  -2.0773089945
H    3.9977520836  -1.1818553937  -3.3998988280
H    0.5301241834  -0.4665600531  -1.6630400637
H   -1.0309839308   2.2087868874   2.1565262197
H   -1.7046398414   0.4888505681  -1.7130876811
H    3.4253162034  -3.7351773045  -0.2407927628
H    6.6553160209  -2.5747142798   2.0837415450
H   -3.4147846474  -0.6082977950   0.3261190558
H   -4.5228858608   3.3221328456  -0.9938977881
H   -5.4724482164  -1.5137602306  -0.6441718996
H   -6.6069613815   2.4126175044  -1.9444765291
*