! 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  -4.9054928118  -1.9082095862  -0.9661660262
O    1.8041674342  -1.6402752574  -0.3605083160
N    1.9295499051  -0.2616275357  -0.6789926274
N    2.2007490170   4.1756719090   0.8568787313
C    2.1785379658   0.3868608628   0.6224214349
C    1.1842118318  -0.3914686922   1.5163637881
C    0.8802289980  -1.6665195002   0.7003378479
C    1.7767741271   1.8415483042   0.4754826190
C    3.6034324756   0.2008247006   1.1409358115
C   -0.5560772246  -1.7323101435   0.2369760837
C    2.9627910327  -0.1398553043  -1.6756542280
C    0.5799552661   2.1740498374  -0.1584885306
C    2.5422078210   2.8936623393   0.9605855458
C   -0.9333152566  -1.5314923787  -1.0852238945
C   -1.5472464790  -2.0022842912   1.1767292922
C    0.2156917865   3.5019237077  -0.2739352193
C   -2.2695766273  -1.5824152016  -1.4593131743
C   -2.8845654098  -2.0604279492   0.8197755094
C    1.0617822321   4.4694002549   0.2499963590
C   -3.2359015690  -1.8447916095  -0.5032892059
H    1.6321324392  -0.6266048368   2.4817909177
H    0.2777360704   0.1791468631   1.7145481666
H    1.1043227823  -2.5654555755   1.2799302004
H    3.8725004786  -0.8564721813   1.1443350689
H    3.6932823666   0.5543085327   2.1684213677
H    4.3450665190   0.7318930825   0.5429252589
H    2.6216633736  -0.5855348143  -2.6105589137
H    3.9174281759  -0.6021294959  -1.4005015544
H    3.1339895997   0.9197137260  -1.8645741430
H   -0.0598848150   1.3982359132  -0.5592929448
H    3.4829497182   2.7061518201   1.4642739909
H   -0.1942014095  -1.3244312921  -1.8463096134
H   -1.2801255240  -2.1743598716   2.2130400124
H   -0.7068875890   3.7874547018  -0.7609026305
H   -2.5458452543  -1.4174425512  -2.4920071953
H   -3.6377652600  -2.2740065697   1.5660760000
H    0.8033375112   5.5199884077   0.1758479276
*