! 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   -0.2785020363  -1.3945242012  -0.3232251609
O   -2.4810215907   0.1126868346  -1.8882454588
O   -1.0246228606  -1.6201109684   1.7769719425
O    0.0569593073   3.2613883922  -1.1363019317
N   -0.4606135924   1.3631147196   0.0110553030
N    1.7516914405   1.8559228829  -0.6150092789
N    3.5938381620   0.7217048927  -1.0270780871
C   -0.0584470080   0.4743852928   1.0985048358
C   -0.4389914531   1.0139386483   2.4764049645
C   -1.8958257612   1.6427460887  -0.0967900621
C   -0.5371962615  -0.9607426262   0.8944961633
C    0.3837529988   2.2250403740  -0.5967523176
C    0.0545961556   2.4345391272   2.6983786048
C   -2.6657401084   0.4800757224  -0.5961200018
C   -0.5375198380  -2.7702401440  -0.6616344544
C    0.7339701470  -3.5908897444  -0.6738113992
C   -3.5725505195  -0.3372454222  -0.0107418507
C    1.4799673096  -3.6881472144   0.6588741722
C    2.7959380464   2.7387008933  -0.4481448526
C    2.2973682270   0.6580944986  -0.9742225528
C   -3.9689872571  -1.2796571560  -1.0076177518
C   -3.2721680039  -0.9588132712  -2.1209447285
C    3.9164359748   2.0132082425  -0.6888397843
C    2.2976799360  -2.4792917890   0.9888833755
C    2.3111565871  -1.8421350391   2.1550134412
H    1.0302001909   0.3946113797   1.0894782389
H   -1.5154956354   0.9539622808   2.6478032245
H    0.0202927602   0.3561863320   3.2160625045
H   -2.0340383620   2.4984189004  -0.7541921448
H   -2.2962793182   1.9356349729   0.8747313452
H   -0.4575757055   3.1621568494   2.0668616507
H   -0.1182876520   2.7336670382   3.7317177576
H    1.1272503279   2.5249743836   2.5115641664
H   -0.9741987410  -2.7463055949  -1.6587617517
H   -1.2756554684  -3.1945157388   0.0180957461
H    1.4097853077  -3.2187663473  -1.4493925527
H    0.4351745008  -4.5927573649  -0.9912234676
H   -3.9145389489  -0.2805829030   1.0101517982
H    2.1640268587  -4.5396940779   0.5855868328
H    0.7877930336  -3.9203694340   1.4721162952
H    2.6468005849   3.7650929330  -0.1600414835
H    1.6934953765  -0.1984858510  -1.2248708245
H   -4.6759740432  -2.0863488350  -0.9046449916
H   -3.2374625602  -1.3783064316  -3.1135170191
H    4.9396951592   2.3471884739  -0.6346036926
H    2.9552827145  -2.1286169604   0.1968759108
H    2.9640279652  -0.9950733173   2.3259622873
H    1.6825412242  -2.1472904945   2.9836436590
*