! 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   -0.0647775974  -1.0642510941   1.2056462965
O   -1.7144149462  -0.4449310972  -1.8394912917
O   -1.5288253858  -0.4013718475   2.7567690180
O    0.0820888915   2.5429866458  -1.8142466330
N   -0.5221865634   1.4938094187   0.1076560755
N    1.7367412666   1.9082594451  -0.4041119965
N    3.7077145390   1.0398052859   0.0587975055
C   -0.2671997390   1.2536155280   1.5253450304
C   -0.8819464351   2.3246341585   2.4219409902
C   -1.9223669425   1.4345142104  -0.3145291674
C   -0.7151779174  -0.1560177464   1.9021303083
C    0.3682290806   2.0107620910  -0.7622739423
C   -0.4133669793   3.7206898562   2.0440071343
C   -2.3292455182   0.0769117153  -0.7520749353
C   -0.3215169919  -2.4553944914   1.4636525355
C    0.7449096470  -3.2634902351   0.7621058332
C   -3.2561945513  -0.7922739216  -0.2843747193
C    0.7125114204  -3.1640675743  -0.7631838595
C    2.6575156229   2.9156395353  -0.5850899756
C    2.4345833778   0.7981594052  -0.0261778222
C   -3.2100647355  -1.9311129558  -1.1459649567
C   -2.2539670794  -1.6653733087  -2.0634040108
C    3.8571731076   2.3627626082  -0.2759471646
C    1.8505298608  -3.9069218504  -1.3852653854
C    1.7296845984  -4.9604954360  -2.1840218521
H    0.8090344563   1.2804497682   1.6993276092
H   -1.9723986830   2.2796396444   2.4162187282
H   -0.5754531284   2.1017739741   3.4451588866
H   -2.0927302241   2.1667255586  -1.1023926217
H   -2.5630606468   1.7326251167   0.5141705856
H    0.6764698210   3.7893799708   2.0233974654
H   -0.7879394959   4.0343465676   1.0683792210
H   -0.7707987404   4.4486196424   2.7714413380
H   -1.3202331744  -2.7061166199   1.0986202165
H   -0.2897376285  -2.6413611351   2.5381791212
H    0.5990239184  -4.3051885421   1.0571259448
H    1.7281641398  -2.9738649159   1.1447239329
H   -3.8959390224  -0.6415375855   0.5702378378
H    0.7632146767  -2.1141301551  -1.0685892603
H   -0.2394240531  -3.5513386309  -1.1345795655
H    2.3765885589   3.9105571053  -0.8853582360
H    1.9616783682  -0.1551139772   0.1449460409
H   -3.8064042792  -2.8264258760  -1.0819722470
H   -1.8670299763  -2.2188465720  -2.9034684967
H    4.8215739863   2.8437923697  -0.2730105059
H    2.8453547423  -3.5444806342  -1.1383596532
H    2.5967562432  -5.4610221439  -2.5958476156
H    0.7607039766  -5.3630667909  -2.4569241908
*