! 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   1.1998574980   0.1885702236  -2.3610031200
Cl   3.9426459501  -3.8047875021  -0.1478855150
O   -1.2245465351   0.4514242189  -0.6777959027
O   -1.0703231286   0.2006135461   1.5437612250
N   -0.6627687274   2.8478085126   0.7593510364
N   -1.3084773570   3.4654528286  -0.2318007262
N   -2.1133466796   4.1172203127   1.7539203237
C   -0.3262964170   0.4497411775   0.3797585170
C   -2.3328852293  -0.3573996673  -0.3105740471
C   -2.4100759988  -0.1063416324   1.1883563235
C    0.3250399160   1.8336286692   0.5113653047
C    0.7488352567  -0.6238513183   0.2161901169
C   -3.5562114116   0.0605625735  -1.0962471849
C   -4.7860794201  -0.7440342247  -0.7020529561
C    1.4684351323  -0.8017817183  -0.9651446601
C    1.0645230152  -1.4600660540   1.2833665911
C    2.4482878697  -1.7759893570  -1.0853793927
C    2.0389296122  -2.4395334220   1.1915388718
C   -1.1561815483   3.2413738497   1.9370173086
C    2.7231739649  -2.5896974231  -0.0008324207
C   -2.1672637582   4.2141310822   0.4100568866
H   -2.1080491319  -1.4156280599  -0.5070983802
H   -3.0647337330   0.7405223666   1.4260719134
H   -2.7461274611  -0.9762678360   1.7539130707
H    0.8779169612   2.0994083829  -0.3869906452
H    1.0287007233   1.8215094950   1.3431466423
H   -3.3578933472  -0.0731176100  -2.1621799252
H   -3.7361080574   1.1274904563  -0.9369607283
H   -5.0669798347  -0.5800371691   0.3400352505
H   -5.6430383304  -0.4617034087  -1.3134141553
H   -4.6267345328  -1.8154787355  -0.8373491294
H    0.5354902534  -1.3495499162   2.2189033874
H    2.9874735962  -1.8938336504  -2.0148952639
H    2.2537581187  -3.0730632476   2.0410025090
H   -0.7848749445   2.8760267521   2.8814569671
H   -2.8495917780   4.8697412858  -0.1089307158
*