! 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    3.0817514746   2.3655600339   0.6028323986
O    1.0833099093   0.6689150363   0.8848723322
N    2.1610424082  -1.1199615088  -0.1305078451
N    1.9789630079  -1.7882991639  -1.2748132087
N    2.4788710842  -3.2027388028   0.3922162435
C    4.5900864590   0.8791829745  -0.4978174790
C    3.3619346078   0.9963330203   0.4330592928
C    2.0633022403   0.3200651842  -0.0591178328
C    4.3021812767   1.4331580634  -1.8941919949
C    5.7258876790   1.6907278995   0.1391154112
C    5.0807473140  -0.5671527855  -0.6173437043
C   -0.2417450950   0.5297466578   0.6007752256
C    2.4577180663  -1.9767799379   0.8515767398
C   -1.1111507538   0.8974010951   1.6239822158
C   -0.7538118964   0.0623525913  -0.6025279364
C    2.1828530853  -3.0274074926  -0.9117474711
C   -3.0174471527   0.3117085897   0.2491917267
C   -2.4764515700   0.7894236191   1.4458851843
C   -2.1292693529  -0.0399923252  -0.7635180135
C   -4.4758798996   0.1666329119   0.0740148885
C   -5.0786729296   0.3848447837  -1.1667890836
C   -5.2882316238  -0.2062701599   1.1472282803
C   -6.4472090769   0.2292484277  -1.3298725833
C   -6.6571403051  -0.3579460391   0.9852936300
C   -7.2432011682  -0.1432146114  -0.2548381481
H    3.6334626654   0.5353193634   1.3958439502
H    1.8038844565   0.6721588100  -1.0608228576
H    3.5498245604   0.8505046791  -2.4292099607
H    3.9661755122   2.4701073393  -1.8648236916
H    5.2100026409   1.4037768538  -2.4993657434
H    5.5154641721   2.7587408755   0.1649914514
H    6.6447062737   1.5517748906  -0.4330194617
H    5.9271257647   1.3622457237   1.1616171725
H    4.4291872392  -1.1976029475  -1.2204372990
H    5.2105967168  -1.0380535854   0.3595768445
H    6.0549873163  -0.5760701009  -1.1095041639
H    2.4385883278   2.4608154145   1.3130625497
H    2.6422914191  -1.6780116211   1.8712397321
H   -0.7115965961   1.2748808189   2.5565739680
H   -0.1179854682  -0.2470144146  -1.4198256860
H    2.1117545093  -3.8418106044  -1.6148924579
H   -3.1291894756   1.0986540048   2.2521275272
H   -2.5044545531  -0.4318097979  -1.7002545848
H   -4.4779724458   0.6958724956  -2.0123764864
H   -4.8469536068  -0.4019628530   2.1164767624
H   -6.8935541116   0.4071458366  -2.2995015810
H   -7.2656586434  -0.6545045826   1.8295687957
H   -8.3106412411  -0.2654505763  -0.3824151777
*