! 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    0.8141185382   0.3937284467   0.9873720226
O   -5.5871831975  -0.6097053246  -0.2150116495
O    1.9959748000   0.8710250052  -0.8801301347
O   -3.6171568611  -1.4418235164   0.4993653529
N   -3.8470226363   0.7281850176  -0.1941906186
N    2.8796260574  -0.3542952045   0.8378462128
C   -2.5837633251   1.2689109379   0.0407021759
C   -0.2555981480   1.1723192746   0.5805721622
C   -1.4550671607   0.5156158564   0.3628195721
C   -2.4666813741   2.6549165679  -0.0801227371
C   -0.1243276537   2.5452161680   0.4765001267
C   -1.2510158681   3.2778255522   0.1346907190
C    4.1503125032  -0.6494251769   0.3172542650
C    4.7065719500  -1.8897346518   0.6196740312
C    4.8814801570   0.2693646739  -0.4315437862
C    1.9196052099   0.3520155736   0.2068397989
C   -4.2875706445  -0.5287314634   0.0679652185
C    5.9791373079  -2.2115619839   0.1748198609
C    6.1488396350  -0.0694886667  -0.8833845497
C    6.7050614683  -1.3057597558  -0.5859379592
C   -6.2405756063  -1.8772913191  -0.0457429302
C   -6.0348096809  -2.7850804320  -1.2348626985
H   -1.4914763764  -0.5581206451   0.4554982286
H   -3.3365255069   3.2483397062  -0.3333356113
H    0.8194805825   3.0362192524   0.6701865253
H   -1.1831374250   4.3531789339   0.0434570355
H   -4.5462894711   1.3847802682  -0.5102929772
H    2.6146533877  -0.8335378516   1.6865843218
H    4.1410957726  -2.6040384541   1.2051963252
H    4.4846095475   1.2496620252  -0.6496053197
H    6.3992426543  -3.1778192766   0.4202321474
H    6.7108842926   0.6508335438  -1.4629138928
H    7.6965600110  -1.5575341822  -0.9372057873
H   -7.2935842694  -1.6256218966   0.0658153621
H   -5.9133053273  -2.3510399101   0.8800239936
H   -4.9945943982  -3.0884343238  -1.3476502170
H   -6.3617865119  -2.3085657694  -2.1591277609
H   -6.6312178473  -3.6875274503  -1.0985587681
*