! 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   -0.5258898221  -2.5279062271  -0.2052745557
O    2.4050922116   2.9102270595  -0.0703628984
O    0.3126872375   3.6829895942   0.1126933025
N   -0.8467686754  -0.2785290465  -0.1955515658
N    1.2800219340  -1.1852706647  -0.4954687151
N   -1.5830425366   1.7743985428   0.0228653036
N    0.7844990494   1.4276333606  -0.1396961697
C    3.1527182200  -2.1940758550   0.7471367058
C    2.2874996426  -2.2266728009  -0.5056369979
C   -2.2487519120  -0.3476172495  -0.1270526658
C    4.3158715087  -3.1788072736   0.6942735298
C   -2.6965963861   0.9636843647   0.0093313497
C   -0.4636554157   1.0468829945  -0.1028922018
C   -0.0091418369  -1.4278400384  -0.2915416047
C   -3.1592929832  -1.3920980376  -0.1871373161
C   -4.0353360486   1.2914574248   0.0991591876
C    3.8905063190  -4.6402146825   0.6661431029
C   -4.5086878013  -1.0694685794  -0.0988502856
C   -4.9442275216   0.2451760909   0.0439910643
C    1.0840904822   2.7455766470  -0.0216835311
C    2.8982055344   4.2413168353   0.0467577305
H    2.5297342350  -2.3992500527   1.6229981964
H    3.5475466889  -1.1821428516   0.8746952281
H    1.7943903950  -3.1890833210  -0.6212061502
H    2.9127452479  -2.0855939439  -1.3897644630
H    4.9369153472  -2.9594014345  -0.1794455585
H    4.9518471840  -3.0085347854   1.5658800731
H    1.5817826842  -0.2130403101  -0.4641746767
H   -2.8551794913  -2.4185220145  -0.2988048609
H   -4.3545366238   2.3190464271   0.2055767973
H    4.7572625102  -5.3005145147   0.7133518736
H    3.2486536849  -4.8802520106   1.5160772858
H    3.3431621773  -4.8958078304  -0.2422037382
H   -5.2361879988  -1.8683176279  -0.1433684221
H   -6.0028168955   0.4552564147   0.1109164232
H    2.5445728408   4.8770029843  -0.7651702171
H    2.6257997967   4.6910606507   1.0016904399
H    3.9804131378   4.1641524632  -0.0113298957
H   -1.5661022785   2.7810341698   0.1090938959
*