! 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
O    0.9273668886   0.3228663135  -1.3814262077
N    1.0433562517  -2.4013385363  -0.3916629316
N    0.7947145893  -2.8266538629   0.8475028099
N   -0.7379807151  -3.6267700888  -0.5745087171
C    3.2244881606   0.7484216641  -0.5338486252
C    1.8794929630  -0.0499292310  -0.4283279930
C    3.9252585189   0.3953779503   0.7905354949
C    1.5174366595   0.2056802226   1.0199068843
C    2.7994566798   0.1142395054   1.8058033301
C    2.1597811894  -1.5397072356  -0.6858180785
C    2.9223497242   2.2485929227  -0.5777584419
C    4.0600050872   0.3903193643  -1.7564360055
C    0.3821434495   0.6459626967   1.5680381651
C    0.1227475273  -2.8834836896  -1.2299609546
C   -0.2816910869  -3.5560981598   0.6919906102
H    4.5783912673   1.2061474519   1.1164341845
H    4.5656351996  -0.4805044548   0.6680873550
H    2.8003391709   0.8141734910   2.6416955228
H    2.9035918249  -0.8847713538   2.2382700249
H    3.0089252207  -1.8933544568  -0.1042567494
H    2.4054669580  -1.6816654006  -1.7378946726
H    2.4143218694   2.5402341172  -1.4993994850
H    2.3132935745   2.5863839583   0.2635410672
H    3.8561131803   2.8123543192  -0.5426968580
H    4.9457794839   1.0269818451  -1.8040912916
H    4.4167452511  -0.6405241017  -1.7433521217
H    3.5033383657   0.5427793486  -2.6836033154
H    0.5881095825   1.2001176791  -1.1748677619
H    0.1247966749  -2.6757684253  -2.2883574394
H   -0.7521867692  -4.0617454509   1.5209824532
C   -0.9531476880   0.8772725010   0.9962164531
C   -3.5180172488   1.4207094402   0.0342729281
C   -1.6394760841   2.0352720081   1.3743501147
C   -1.6074701524  -0.0141526693   0.1468212769
C   -2.8789294617   0.2491836844  -0.3368604986
C   -2.9074140824   2.3188186973   0.8956084046
H   -1.1696669268   2.7379982519   2.0517837861
H   -1.1358171155  -0.9426994027  -0.1295518369
H   -3.3653937941  -0.4611952966  -0.9916863066
H   -3.4110745998   3.2280713251   1.1950482173
Cl  -5.1064962524   1.7583433550  -0.5697634773
H    0.4542079875   0.9352292220   2.6142897191
*