! 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   1.8787929675  -0.6933794643  -2.1703683837
Cl   0.8838338003  -5.4477463444   0.0191392249
O   -0.8434912482   0.8947089889   1.0670969926
O   -0.1818370616   1.0679598687  -1.0710631317
N    1.3753881857   2.6106865930   0.8122906639
N    1.7146362444   3.4146771021  -0.1981569278
N    0.8743395768   4.6055968697   1.5020399588
C    0.1777841709   0.5544651492   0.1761323118
C   -1.9620384002   1.4155977947   0.3523812564
C   -1.3028201102   1.9211387385  -0.9221993968
C   -3.0356454426   0.3610874619   0.1226710861
C    1.4783497217   1.1798370750   0.7095247297
C    0.3576232879  -0.9578815204   0.0901996014
C   -4.3456655915   0.9422786127  -0.4070530938
C    1.0950718408  -1.5872975822  -0.9115231271
C   -0.1900712126  -1.7673898484   1.0808614775
C   -5.0775622046   1.8348076153   0.5863355612
C    1.2572650772  -2.9648040421  -0.9432425869
C   -0.0402001365  -3.1435600054   1.0759919769
C    0.8690674330   3.3330710519   1.8159251143
C    0.6823456373  -3.7321491592   0.0538752759
C    1.4022483053   4.5991886710   0.2611801516
H   -2.3583971716   2.2394931623   0.9487629313
H   -1.9339463876   1.8203300036  -1.8065173979
H   -0.9977062549   2.9693182266  -0.8434490942
H   -3.2296396620  -0.1563956175   1.0668777465
H   -2.6636343533  -0.3939648447  -0.5772195418
H    2.3208382629   0.9461490738   0.0622625141
H    1.6950957979   0.7713317473   1.6967002665
H   -4.9983872262   0.1114202725  -0.6841800639
H   -4.1657448295   1.4958426863  -1.3338903291
H   -0.7534681425  -1.3169298779   1.8852811040
H   -5.2794204806   1.3057449296   1.5199826455
H   -4.5153929434   2.7361508765   0.8355365777
H   -6.0366771132   2.1618895886   0.1824193832
H    1.8281487759  -3.4276879345  -1.7360899173
H   -0.4821649199  -3.7402236242   1.8616278309
H    0.5281548488   2.8968624099   2.7413051993
H    1.5632797297   5.4948836875  -0.3184616404
*