! 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    0.8234023397   0.4872733356   0.9190612249
O   -5.5792713911  -0.6351089803  -0.1176744214
O    1.9764596779   0.8199584301  -0.9941289705
O   -3.5538051362  -1.4513259319   0.4387591066
N   -3.8563488980   0.7241413071  -0.2068215812
N    2.8878725656  -0.2662854317   0.8038429963
C   -2.5876774161   1.2799020165  -0.0508974468
C   -0.2517735734   1.2313357641   0.4644193041
C   -1.4526520076   0.5580036309   0.3176905855
C   -2.4748311397   2.6512953974  -0.2888982920
C   -0.1249418503   2.5910726626   0.2472110314
C   -1.2581127534   3.2908615335  -0.1397564527
C    4.1675842037  -0.5979234431   0.3380964506
C    4.8337768013  -1.6258400059   1.0056647255
C    4.8092150613   0.0667097455  -0.7053125533
C    1.9189338633   0.3870890222   0.1311068125
C   -4.2641255863  -0.5406404571   0.0701034495
C    6.1177069148  -1.9880178182   0.6350012868
C    6.0938302597  -0.3123785930  -1.0709148542
C    6.7568273771  -1.3359839726  -0.4108824467
C   -6.1994243224  -1.9159555873   0.0781348604
C   -6.0514381883  -2.8114757021  -1.1286234603
H   -1.4869009286  -0.5034898248   0.5028733280
H   -3.3479933371   3.2213942555  -0.5810581962
H    0.8189189345   3.0998196880   0.3870625387
H   -1.1930110975   4.3549221497  -0.3211715757
H   -4.5785288018   1.3693828959  -0.4934764716
H    2.6415289635  -0.6333556451   1.7120962541
H    4.3432175748  -2.1445712837   1.8205720377
H    4.3340227024   0.8806593864  -1.2290115518
H    6.6166732229  -2.7873889145   1.1665990443
H    6.5805822240   0.2133013688  -1.8817731181
H    7.7588727870  -1.6185542144  -0.7035629918
H   -7.2477960508  -1.6833334736   0.2551486559
H   -5.8088399512  -2.3903339670   0.9787517195
H   -6.6093690240  -3.7320684103  -0.9555302954
H   -5.0136405670  -3.0835762385  -1.3173487837
H   -6.4574549011  -2.3411218280  -2.0241962350
*