! 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  -0.2640554727  -0.3467935948  -2.0189110487
Cl   4.9538740878  -0.1286405075  -1.0407297456
O   -1.6482129845  -0.4813329323   0.5030747788
O   -0.6692980829  -0.1109390948   2.4536730853
N   -1.1556018637   2.3468005806  -0.1976096862
N   -0.0787922006   2.9384982744  -0.7192209753
N   -1.7870388043   3.0011410043  -2.1664927946
C   -0.6842335788   0.3011629670   1.1163746607
C   -1.5470136363  -1.7827227556   1.0692842518
C   -0.9646719260  -1.5002416987   2.4665284764
C   -2.9074381809  -2.4466928243   1.0757994492
C   -1.1333601204   1.7627282081   1.1166504618
C    0.7102571855   0.1397390878   0.5035255146
C   -2.8431105150  -3.8771144590   1.5994987736
C    0.9795813592  -0.1285284758  -0.8364580701
C    1.8062677656   0.3424766409   1.3402031999
C   -4.2085110055  -4.5448458336   1.6324549689
C    2.2808718666  -0.2227699676  -1.3136183259
C    3.1110867212   0.2721276408   0.8892853340
C   -2.1633876332   2.3839192846  -1.0738506652
C    3.3355623178  -0.0201189304  -0.4447576447
C   -0.5041542194   3.3157953563  -1.8971390047
H   -0.8459114330  -2.3874854094   0.4797894559
H   -1.6816918444  -1.6871337148   3.2692392196
H   -0.0669863182  -2.0922999998   2.6612536989
H   -3.3085162853  -2.4530394611   0.0580062412
H   -3.5951163652  -1.8533129340   1.6876918038
H   -0.4642245166   2.3549546227   1.7388910340
H   -2.1348040235   1.8244472929   1.5434699477
H   -2.4144860278  -3.8899167966   2.6067466027
H   -2.1633827735  -4.4628672550   0.9735885287
H    1.6424427092   0.5661901016   2.3855411483
H   -4.8976550184  -4.0090740204   2.2880196233
H   -4.6599597263  -4.5796183579   0.6390813389
H   -4.1389947522  -5.5703819036   1.9974259104
H    2.4615846265  -0.4430406251  -2.3566729442
H    3.9324924897   0.4401516585   1.5714143715
H   -3.1363159150   1.9661224224  -0.8684412049
H    0.1347012859   3.8431193317  -2.5883803492
*