! 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   -0.5299864678  -2.5180962845   0.2671316510
O    2.4040925115   2.8858384711   0.3348243225
O    0.3817120783   3.6501797892  -0.2441753434
N   -0.8702460488  -0.2715306082   0.2053239775
N    1.1639515896  -1.1599836199   0.9205628752
N   -1.5461937613   1.7569047832  -0.2752896280
N    0.7681904476   1.4229760377   0.2674425767
C    2.9652373156  -2.4392501147  -0.2040035512
C    2.1577770056  -2.2046365912   1.0642857545
C   -2.2470486335  -0.3479908305  -0.0592986673
C    4.0277472604  -3.5127435114  -0.0127392042
C   -2.6586360620   0.9476140478  -0.3594074380
C   -0.4647126293   1.0430307670   0.0706864095
C   -0.0553719361  -1.4125424801   0.4565016811
C   -3.1657323938  -1.3860800512  -0.0346576305
C   -3.9694998072   1.2629700423  -0.6593919822
C    4.8953416031  -3.7014328998  -1.2468779535
C   -4.4874051033  -1.0753284600  -0.3326865887
C   -4.8861836934   0.2219526632  -0.6441025944
C    1.1047642046   2.7244756070   0.0901109359
C    2.9383901438   4.1978385880   0.1907151163
H    3.4415014192  -1.5009009254  -0.5032437823
H    2.2930036801  -2.7231385049  -1.0189148437
H    2.8218408291  -1.9061202238   1.8752380732
H    1.6683807583  -3.1231782094   1.3847349038
H    4.6606985984  -3.2496161465   0.8397292127
H    3.5463613386  -4.4598352097   0.2462997528
H    1.4758650514  -0.1915621512   0.8972206508
H   -2.8884762082  -2.3985426442   0.2052108275
H   -4.2634796358   2.2772585905  -0.8912545774
H    5.4215902823  -2.7807114201  -1.5039262030
H    5.6465619013  -4.4764777699  -1.0912242123
H    4.2981956057  -3.9911637922  -2.1129784876
H   -5.2221052380  -1.8686652456  -0.3203116582
H   -5.9235669539   0.4234922717  -0.8728791681
H    2.8323746909   4.5687816207  -0.8282703137
H    2.4748330042   4.9016728717   0.8810354527
H    3.9951033448   4.1158279158   0.4278318647
H   -1.5063714251   2.7540128012  -0.4327771985
*