! 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    0.8937366849   2.3649598712  -0.8422374419
N   -1.1192153007   1.5190715538  -0.2711026467
N   -1.4694050150  -0.7155314766   0.2758849637
N   -3.2077216177   0.8020063010   0.3675355633
C    2.2037678252  -0.1896106164  -0.5210766221
C    3.0205451068   0.1348621443   0.7326273656
C    0.7357392257   0.0490460868  -0.3288692740
C    4.5189183501  -0.0985308295   0.5701152882
C   -0.1494496120  -0.9266170407   0.0607759420
C    0.2381380661   1.3767583731  -0.5067796376
C   -1.9256064974   0.4999636501   0.1157645554
C    4.8938993636  -1.5577061019   0.3522054906
C    0.3100088704  -2.3360156426   0.2750933010
C   -4.2330612083  -0.2018876964   0.5700777317
C   -4.8020437714  -0.7549997247  -0.7245934288
H    2.3749736140  -1.2251809775  -0.8192826511
H    2.5704871857   0.4228205851  -1.3493312808
H    2.8467968213   1.1798504051   1.0028098157
H    2.6496480159  -0.4626185350   1.5724039475
H    4.8927726192   0.5054537434  -0.2624679109
H    5.0297272245   0.2703165783   1.4633676672
H   -1.5036841257   2.4489344935  -0.3866218790
H    4.4841950953  -1.9545317174  -0.5776474503
H    4.5256015093  -2.1848407630   1.1669332192
H    5.9762833985  -1.6843967767   0.3054900675
H   -0.4950120855  -2.9476708029   0.6751576035
H    1.1512541908  -2.3836161647   0.9677091883
H    0.6438271231  -2.7884673564  -0.6606459099
H   -3.5308969326   1.7194900905   0.1025766235
H   -3.8213011756  -1.0020487254   1.1806225185
H   -5.0243700427   0.2645531239   1.1550623962
H   -5.5796644821  -1.4885075088  -0.5093927683
H   -5.2486988008   0.0364775106  -1.3278256659
H   -4.0329644256  -1.2456234407  -1.3215298771
*