! 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  -4.7843881020  -0.9127324570  -0.0684868838
Cl   2.6311756399   1.8706024391   0.6731146864
O    0.6110695894   1.6452789885  -2.8551490064
N    1.6458153567  -0.0302922150  -1.7933057623
N    0.3136641767   2.3654723366   1.7005652191
C    1.1729549986  -1.4964607070   0.1468132825
C    2.0581304863  -0.8776575434  -0.7425923988
C   -0.2957833556  -1.3530005877   0.0732748989
C    1.7120467850  -2.3092396546   1.1477637216
C    3.4259767488  -1.1240766123  -0.6480192195
C   -1.0195734928  -1.0437319619   1.2230321996
C   -0.9927647905  -1.5543140224  -1.1172711130
C    3.0712942889  -2.5455537378   1.2443262604
C    3.9339105934  -1.9588233208   0.3289890128
C    0.8568128053   1.0665830136  -1.8091319488
C    0.2309587462   1.5603286842  -0.5474851495
C   -2.3981185757  -0.9161925738   1.1905644331
C   -2.3714606529  -1.4272096526  -1.1654120564
C   -3.0633305848  -1.1010234099  -0.0093608769
C   -1.1404327996   1.7930753252  -0.5689926718
C    0.9010071567   1.9178581514   0.6180418340
C   -1.7746086837   2.2691791004   0.5620219678
C   -1.0043300691   2.5194184944   1.6842072384
H    1.0393955600  -2.7981751571   1.8413672643
H    4.0971020677  -0.6350587723  -1.3433228257
H    2.0837497608  -0.2157306831  -2.6874233979
H   -0.5025984962  -0.8719420832   2.1586237508
H   -0.4643598804  -1.8242665540  -2.0221186904
H    3.4526930164  -3.1956714456   2.0205274004
H    4.9995054933  -2.1383712374   0.3826822477
H   -2.9397264587  -0.6577476216   2.0901879306
H   -2.8969377747  -1.5864350015  -2.0972487031
H   -1.7077173890   1.5809322814  -1.4650281679
H   -2.8420015958   2.4352124946   0.5783961895
H   -1.4576453072   2.8732072402   2.6019170108
*