! 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    2.4390748916  -1.1658110088   1.7991214841
O    1.7011296567   0.9241607692   2.0676118792
O   -0.3771995391   2.3054418527  -1.2175649923
O    2.7900856268   0.7377258603  -1.0550459247
N    0.8153959686  -0.5063285944   0.4862261060
N   -0.0030988320   0.3748692085  -0.1582550553
C    1.1580840420  -1.7995463454  -0.0677841981
C   -1.4065219684   0.0827513411  -0.1237215581
C    2.0681389331  -2.3260148557   1.0366703051
C   -1.9780906513  -0.5966680258  -1.2023791561
C   -2.1603188712   0.4778653141   0.9853784523
C    1.6429465934  -0.1377599710   1.4993494564
C    0.4358608873   1.5081066740  -0.7847245996
C   -3.3338602166  -0.9111554232  -1.1345323328
C   -3.5104996753   0.1456142604   1.0116658809
C   -1.1972456344  -1.0100682994  -2.4155439274
C   -1.5592465350   1.2366556171   2.1288162598
C   -4.0929648943  -0.5507614327  -0.0354572672
C    1.9222623722   1.8220873072  -0.8879536786
C    2.8488165491   0.2841353245  -2.3920543607
H    1.6659697881  -1.7091641458  -1.0277564453
H    0.2778148817  -2.4279982659  -0.1911500450
H    1.5501671206  -3.0214404748   1.6955902162
H    2.9709414061  -2.7955084033   0.6560401354
H   -3.7956709605  -1.4390319270  -1.9595752003
H   -4.1121533324   0.4439021026   1.8610194252
H   -0.7546056799  -1.9998555605  -2.2867257335
H   -1.8527339184  -1.0692556954  -3.2832968461
H   -0.3921034291  -0.3232774157  -2.6690211109
H   -2.3449744967   1.6633420678   2.7501456588
H   -0.9569016577   0.5919872754   2.7695511834
H   -0.9202840133   2.0527286098   1.7953187027
H   -5.1451674725  -0.8005576200   0.0006173002
H    2.2059061245   2.3489319594   0.0262790353
H    2.0175296265   2.5429178410  -1.7075042766
H    3.5440375702  -0.5526054240  -2.4297983662
H    3.2116897537   1.0681769524  -3.0642434149
H    1.8785137967  -0.0574314917  -2.7681906070
*