! 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   4.2557268975   4.0393275204   0.0595740083
O   -1.2464922199  -0.4807099607   1.5248000343
N   -1.5493328104  -2.9890801433  -0.0204431974
N   -0.7861754092  -3.3170559033   1.0266102552
N   -0.2859600573  -4.6054229874  -0.7281205796
C   -1.8715246904  -0.5353769180   0.2601421873
C   -2.9851042628   0.5635065971   0.2788537528
C   -0.8687095567  -0.2854875082  -0.8995630788
C   -2.5223675301  -1.9242939572   0.0816929836
C   -4.0921546577   0.2160158464   1.2826600028
C   -2.3865611429   1.9094043247   0.7061206788
C   -3.6275878101   0.7334195692  -1.1015806724
C    0.6011596002  -0.7021622485  -0.6728395661
C    1.5237056443   0.4713042640  -0.4707711666
C   -1.2385555802  -3.7636889232  -1.0594433972
C    2.4577089887   0.8120421818  -1.4448772119
C    1.4563552604   1.2640021904   0.6749685136
C   -0.0424848353  -4.2892518069   0.5554065128
C    3.3020417585   1.9037994720  -1.2938146201
C    2.2905423255   2.3577319457   0.8447142353
C    3.2096968473   2.6705310596  -0.1451254697
H   -0.8728517371   0.7731520170  -1.1596106063
H   -1.2426786610  -0.7885607148  -1.7949526916
H   -3.1706454533  -2.1597619046   0.9251193805
H   -3.1270092888  -1.9612121266  -0.8224080323
H   -4.7676721078   1.0665453542   1.3934153937
H   -3.6927988403  -0.0116943345   2.2716282283
H   -4.7085743778  -0.6265491210   0.9641811109
H   -1.5581013496   2.2316019234   0.0734661748
H   -2.0283413764   1.8920964389   1.7353344336
H   -3.1518411618   2.6862218806   0.6431749017
H   -4.4318103235   1.4698419507  -1.0435039435
H   -2.9260311857   1.0913303159  -1.8560431652
H   -4.0767517517  -0.1879335969  -1.4780739273
H    0.9465456093  -1.2618867887  -1.5432403008
H    0.7103508989  -1.3844392700   0.1709863932
H   -0.8094436142  -1.3237491429   1.7082925042
H   -1.7275956154  -3.6865843499  -2.0179690071
H    2.5343941214   0.2154182172  -2.3461966827
H    0.7380491514   1.0291142689   1.4492526167
H    0.6969783008  -4.7872187153   1.1628916892
H    4.0197669281   2.1482711135  -2.0655155338
H    2.2215131691   2.9592716069   1.7414536156
*