! 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   1.0999133764  -0.0221493326  -2.4111011048
Cl   5.7175811760  -0.5027719406   0.2080149929
O   -0.9706334535  -0.5571308457  -0.3969532857
O   -0.7360249766   0.1659180300   1.7009640546
N   -1.9704548226   2.0402483804  -0.1884100704
N   -2.7568567386   2.4083131885   0.8243542844
N   -3.9542096410   2.1729165355  -1.0539672652
C   -0.2705645969   0.3493961154   0.4029986113
C   -1.6418896616  -1.5134634697   0.4277145459
C   -1.0764282078  -1.2059001302   1.8093545162
C   -3.1493017287  -1.3340992135   0.3360497249
C   -0.5652138865   1.7924814463  -0.0219666747
C    1.2379181028   0.1065722400   0.3187969711
C   -3.9359405031  -2.4795195334   0.9700043728
C    1.9196343258  -0.0649360892  -0.8848067080
C    1.9978404560   0.0987726259   1.4843746363
C   -3.8824204802  -3.7791771613   0.1800881231
C    3.2933128767  -0.2517969318  -0.9289783784
C    3.3691212316  -0.0919269231   1.4717997343
C   -2.6969855604   1.8969512248  -1.2986386248
C    4.0062524479  -0.2681375952   0.2568181155
C   -3.9343644246   2.4790873027   0.2583503666
H   -1.3481301284  -2.5119533560   0.0940311812
H   -1.7959867925  -1.3194713931   2.6199285409
H   -0.1974226365  -1.8184255483   2.0385780885
H   -3.4359071649  -1.2406245705  -0.7154281940
H   -3.4221033195  -0.3920308728   0.8209173515
H   -0.0695322230   2.0198746201  -0.9638281982
H   -0.1708334299   2.4813664277   0.7237584796
H   -4.9781641128  -2.1663393563   1.0653626071
H   -3.5895187593  -2.6561183232   1.9934780441
H    1.5122034959   0.2468517783   2.4388789725
H   -2.8719178507  -4.1847985460   0.1072566953
H   -4.5007116612  -4.5467079508   0.6478130689
H   -4.2522402780  -3.6367803377  -0.8372405015
H    3.7956589740  -0.3813041290  -1.8774509098
H    3.9241367617  -0.0970728798   2.3993747942
H   -2.2711040075   1.6028406057  -2.2449742665
H   -4.8144530216   2.7675302815   0.8118985968
*