! 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   -0.6506574610  -2.6714249840   0.6417111067
O    2.5240017850   2.6244258750   0.3281535076
O    0.5136945048   3.4312547623  -0.2313803244
N   -0.8587488715  -0.4306213864   0.3303750795
N    1.1689504094  -1.3700322283   1.0047149585
N   -1.4568894314   1.6070994341  -0.2154465933
N    0.8455358698   1.2046494767   0.3202827066
C    2.7537809342  -2.9320116961  -0.1017245660
C    2.1054887219  -2.4618811877   1.1934161694
C   -2.2393735119  -0.4616461663   0.0664950467
C    3.5962781558  -1.8635885048  -0.7867729139
C   -2.5986021340   0.8393158100  -0.2767016051
C   -0.4031209318   0.8630463826   0.1475960522
C   -0.0972072310  -1.5862080803   0.6635275971
C   -3.2007327521  -1.4611340962   0.1012242511
C   -3.8916209534   1.2001979788  -0.6006415656
C    4.2414402228  -2.3613874952  -2.0705513780
C   -4.5051051523  -1.1050156805  -0.2228089832
C   -4.8499953864   0.1985119250  -0.5700074657
C    1.2178603877   2.4920226675   0.1089922878
C    3.0843035531   3.9230977485   0.1602834908
H    1.9811238173  -3.2964115015  -0.7854867149
H    3.3843662491  -3.7933103974   0.1377450872
H    2.8709988342  -2.1090365509   1.8852714573
H    1.5960145825  -3.2887062742   1.6859105959
H    2.9804984565  -0.9890182258  -1.0137681328
H    4.3720358153  -1.5193432785  -0.0959897322
H    1.5271637672  -0.4254473688   0.8811133983
H   -2.9716152997  -2.4789439784   0.3658792485
H   -4.1384149109   2.2189640469  -0.8651475265
H    4.8385458703  -1.5810687267  -2.5438410432
H    4.9001174003  -3.2109276477  -1.8819507200
H    3.4888268461  -2.6825135907  -2.7929193579
H   -5.2699621728  -1.8691612082  -0.2031253382
H   -5.8755329447   0.4351003228  -0.8178812807
H    4.1427441404   3.8202185984   0.3826634699
H    2.9698049445   4.2843420083  -0.8617242171
H    2.6454148621   4.6446880361   0.8494626489
H   -1.3742627054   2.5955560543  -0.4098015331
*