! 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   3.2255811849   1.7006753003   2.0720904993
O   -3.3511628702   1.4407019074  -0.7631215121
O    0.4557941240   0.7048519767   1.1689271916
N    0.2605242122  -1.1316548521  -0.1403438707
N    4.5018374212   0.5368215023   0.0755527792
N    4.3723835478  -0.2849325046  -0.9698822445
C   -4.2893494470   0.4485094731  -0.3508696254
C   -3.4281101105  -0.7384599789  -0.0189127306
C   -1.9983396908   1.0044573667  -0.6819374218
C   -2.0936163659  -0.4091485533  -0.1819283407
C   -5.2454970636   0.1559813407  -1.5012331720
C   -5.0484778766   0.9499854155   0.8728749657
C   -1.1117125593  -1.3669446882   0.0571849830
C   -3.8297661854  -2.0055961759   0.3653383677
C   -1.3333020724   1.1380104735  -2.0416745159
C   -1.5092284687  -2.6448525400   0.4481212192
C   -2.8512099641  -2.9634283286   0.5933918569
C    0.9651850717  -0.1136989132   0.4226221364
C    2.3847181262  -0.0568505993   0.0575508418
C    3.1116404093  -0.6594551541  -1.0015007487
C    3.3395773597   0.7056721531   0.7078285116
C    2.6434061282  -1.5793865711  -2.0743791893
C    5.7786371300   1.1326027806   0.3929349999
H   -1.4687843431   1.6373752697   0.0377913836
H   -4.7095562310  -0.2020433225  -2.3815146977
H   -5.8014348778   1.0528321221  -1.7812204579
H   -5.9727305266  -0.6066670848  -1.2192198947
H   -4.3690096732   1.1691393587   1.6979881672
H   -5.7653336743   0.2043511394   1.2200029649
H   -5.6057941776   1.8593123202   0.6390147597
H   -4.8776297350  -2.2542799382   0.4806706819
H   -1.8057682428   0.4892548293  -2.7808942728
H   -1.3969072737   2.1676918501  -2.3962411482
H   -0.2756234459   0.8798237486  -1.9934316793
H   -0.7549470046  -3.3986690265   0.6391343752
H   -3.1302729943  -3.9650417594   0.8931700011
H    0.7797092836  -1.9068117130  -0.5216686569
H    1.7549015704  -1.1999432718  -2.5795666257
H    3.4245543000  -1.7022924415  -2.8228846266
H    2.4113331000  -2.5757164127  -1.6903734223
H    6.0997624052   0.8546968463   1.3949892025
H    6.5026133130   0.7599456315  -0.3242636061
H    5.7316008859   2.2173687766   0.3168490469
*