! 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 "WATER"
end
*xyz 0 1
O    1.3551254199   0.8741285309  -1.3964257527
N    0.6365281395  -1.7598485759  -0.5277790116
N    0.2739374742  -2.4937423253   0.5283100440
N   -1.4450664444  -2.2711699965  -0.8959527940
C    3.6230165697   0.6642759717  -0.4310458704
C    2.1186321929   0.2459373498  -0.3992852693
C    4.1190210460   0.1979917037   0.9398294812
C    1.7163428524   0.5329874881   1.0401103822
C    2.9661399408   0.5058073908   1.8972790540
C    1.9800894791  -1.2565150717  -0.6847296452
C    3.7177663708   2.1916108228  -0.5146909762
C    4.4180317462   0.0639310810  -1.5825173855
C    0.5135664107   0.7290581175   1.5843377390
C   -0.4003009357  -1.6275477784  -1.3566325120
C   -0.9774890721  -2.7671208226   0.2640630356
H    5.0471607547   0.6947568194   1.2255998878
H    4.3324312186  -0.8736644290   0.9240130982
H    3.1089233378   1.4747329825   2.3810128020
H    2.8867326986  -0.2299346593   2.6989933234
H    2.6157197777  -1.8443673124  -0.0270682497
H    2.2931830619  -1.4601612226  -1.7091814452
H    3.1076903371   2.7029934848   0.2339990931
H    4.7501037846   2.5053534950  -0.3538029732
H    3.4253456535   2.5690372488  -1.4966131871
H    5.4315631565   0.4692444504  -1.5871402670
H    4.5122664639  -1.0205848974  -1.5118755732
H    3.9697152132   0.3022889663  -2.5492197549
H    1.3663441963   1.8246815525  -1.2448791481
H   -0.3449116948  -1.0872929528  -2.2870185200
H   -1.5769463796  -3.3623063298   0.9350673747
C   -0.8454340939   0.7449097289   1.0159080473
C   -3.4934770242   0.7162518438   0.1356944311
C   -1.8130633494  -0.0383893394   1.6497961027
C   -1.2589206182   1.5509295136  -0.0439901098
C   -2.5706754619   1.5363638992  -0.4913260623
C   -3.1272676252  -0.0667957332   1.2164530180
H   -1.5324714818  -0.6488177142   2.4986627914
H   -0.5708308930   2.2366056338  -0.5131602741
H   -2.8672839120   2.1733658443  -1.3135202883
H   -3.8517001425  -0.6941600367   1.7174614995
Cl  -5.1350297188   0.6898470989  -0.4240641335
H    0.5145472117   0.8309527554   2.6682604732
*