! 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    2.2399956822  -2.6289098454  -1.1841712121
O    2.1966238675  -1.7209755918   0.8507963216
O    2.1503982321   0.9964629331  -0.5486424004
O    1.4496965742   3.2348043678   0.8030544581
N    0.6390858152  -1.1748008296  -0.7772915005
N    0.1813562594  -0.0375500981  -0.1659797210
C    0.6037152444  -1.3263280590  -2.2246805172
C   -1.2108481949   0.0295481808   0.1548768902
C    1.4170968170  -2.6020075760  -2.3643538834
C   -1.6588539071  -0.4572332551   1.3872104935
C   -2.0937125495   0.5811836890  -0.7845479123
C    1.7326114894  -1.8165848506  -0.2560358676
C    1.0300881486   1.0313500420  -0.0838019403
C   -3.0253270377  -0.4173332087   1.6510959491
C   -3.4493863264   0.6083419773  -0.4746996695
C   -0.7415186814  -0.9905503804   2.4453229629
C   -1.6530124699   1.1421965537  -2.1059971724
C   -3.9145211385   0.1031821903   0.7278445417
C    0.4773926642   2.2460826264   0.6481771741
C    2.3300682876   3.0024854075   1.8850653125
H    1.0663059692  -0.4764542197  -2.7295704595
H   -0.4110980516  -1.4569541749  -2.5923996018
H    0.7868513251  -3.4907138165  -2.3680771219
H    2.0609129331  -2.6085349320  -3.2389277718
H   -3.3901404754  -0.7932338556   2.5990723057
H   -4.1460941857   1.0330105084  -1.1865462569
H   -0.8870783699  -0.4406220345   3.3761332097
H   -0.9645449997  -2.0373565369   2.6572104625
H    0.3091015780  -0.9248118428   2.1819035621
H   -2.2420561160   2.0244020373  -2.3543673034
H   -0.6062657930   1.4360757934  -2.1409748166
H   -1.8130279143   0.4216243601  -2.9098573099
H   -4.9730601154   0.1282705772   0.9506561557
H    0.0475428432   1.9373539928   1.6109140303
H   -0.3432239268   2.6762852781   0.0667699171
H    3.0019650403   3.8568164615   1.9484275605
H    2.9347130512   2.1011797431   1.7550947732
H    1.7875394113   2.9200895744   2.8325900518
*