! 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   1.8815705825   2.1453927438   0.4415120082
O   -3.3600542540   1.7946187762   0.0376259465
O    1.4374171583  -2.5114944344  -0.1514353143
N    0.2440758173  -0.5981193033   0.0841304022
N    4.2456842094   1.0008225304   0.0871096384
N    4.8719404599  -0.1569687109  -0.1331541322
C   -4.2967986794   0.7127935928   0.0482775138
C   -3.4205437744  -0.5084404479   0.1067768413
C   -2.0244916469   1.3595604966  -0.1576437700
C   -2.0966660588  -0.1316386391   0.0275231686
C   -5.1448535761   0.7417955225  -1.2190742421
C   -5.1711069581   0.8468067936   1.2874410616
C   -1.0711111456  -1.0751138952   0.1045385122
C   -3.7869580002  -1.8379480471   0.2258409656
C   -1.5183047137   1.7763465680  -1.5324958842
C   -1.4309923152  -2.4193278232   0.2295864344
C   -2.7722267016  -2.7817980616   0.2800073441
C    1.4046326612  -1.2984972256  -0.0318500970
C    2.6541013555  -0.5225967395  -0.0157779638
C    3.9450038980  -1.0865973906  -0.1977118314
C    2.9248754010   0.8265946290   0.1598651905
C    4.3365520139  -2.5000605955  -0.4383325439
C    5.0280819508   2.2087658718   0.2062949711
H   -1.4026962340   1.8367077114   0.6130195895
H   -4.5301151504   0.6518060211  -2.1157977001
H   -5.7113288589   1.6725830999  -1.2854704364
H   -5.8602788161  -0.0818567235  -1.2229863130
H   -5.7284606900   1.7853152193   1.2696365729
H   -4.5730770437   0.8206369270   2.1992801598
H   -5.8975221970   0.0347274963   1.3387892094
H   -4.8253013998  -2.1399450800   0.2819713151
H   -1.5634517445   2.8604023401  -1.6441616383
H   -0.4814010440   1.4775634268  -1.6932899026
H   -2.1140185350   1.3221351825  -2.3252311807
H   -0.6812716221  -3.1892182645   0.2972176327
H   -3.0194873569  -3.8310842824   0.3767435861
H    0.3261462869   0.3988444020   0.1897310108
H    4.0528176109  -3.1442881418   0.3930649564
H    3.8662755824  -2.9023742982  -1.3345339816
H    5.4171411705  -2.5598046584  -0.5628339361
H    5.7362904572   2.1048377312   1.0251221969
H    5.5689104302   2.3878497234  -0.7203254312
H    4.3856216066   3.0599657362   0.4066120558
*