! 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  -0.0345712644   2.1645137616  -0.2715395745
Cl  -7.4272710132  -0.8383906918  -1.9719885067
O    3.5213953849  -0.5499948389   0.3570063859
O    2.6733782443   1.1135299131  -0.8753851382
O   -2.5391596775  -2.0413389405   1.0182607322
N    4.1138742214   2.0104200405   1.3776096057
N    5.1796250472   1.4648038139   1.9673192402
N    5.7840609743   3.2419810268   0.7470349724
C    2.5369887098   0.4436529766   0.3400442721
C    4.0829697570  -0.6990431963  -0.9479026175
C    2.8056363659   1.4230370580   1.4871246658
C    3.1650653524   0.1651018695  -1.8008059817
C    1.1517470743  -0.1822832790   0.4923939168
C    4.1340413796  -2.1496762069  -1.3602434505
C   -0.0331119110   0.5065298932   0.2391994174
C    1.0282283354  -1.4986276782   0.9306501938
C   -1.2792005627  -0.0825299837   0.3930963117
C   -0.1993042858  -2.1155925930   1.0834991927
C   -1.3568403249  -1.4040758732   0.8081187991
C    4.4897159882   3.0628425373   0.6464310755
C    6.1552184744   2.2365478993   1.5649977196
C   -3.6499469030  -1.7115516421   0.2901311587
C   -4.8402754703  -1.5427141690   0.9796724129
C   -3.6152653604  -1.6157722102  -1.0949220831
C   -6.0095999615  -1.2806672190   0.2826718411
C   -4.7808981833  -1.3408051483  -1.7911319041
C   -5.9704329583  -1.1754756344  -1.0981222099
H    5.0961493886  -0.2823194858  -0.9344554807
H    2.7427238926   0.9004117376   2.4401817573
H    2.0618552159   2.2179250919   1.4989427552
H    3.6846626715   0.6892458909  -2.6017163931
H    2.3486269107  -0.4225199571  -2.2399621069
H    4.7522219012  -2.7355472696  -0.6797134631
H    4.5737857363  -2.2339489892  -2.3553057894
H    3.1380497466  -2.5941619943  -1.3927962319
H    1.9194764417  -2.0681649076   1.1517587704
H   -2.1717637060   0.4962629699   0.1955338892
H   -0.2578543544  -3.1435483619   1.4164212564
H    3.7970087877   3.6639469530   0.0790462134
H    7.1751660208   2.0732297791   1.8774111535
H   -4.8592680578  -1.6228203575   2.0588186381
H   -2.6923253846  -1.7602356368  -1.6419954749
H   -6.9388416512  -1.1533766411   0.8209961014
H   -4.7553614422  -1.2669941803  -2.8696841986
*