! 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   -0.6438916201  -2.5653255414   0.0176237517
O    2.4233618229   2.7825926247   0.2661819364
O    0.3750686989   3.6212548297  -0.0683964338
N   -0.9151238948  -0.3097051687   0.0797388594
N    1.1525363314  -1.2834286577   0.5410084669
N   -1.5791185565   1.7663814671  -0.1494428104
N    0.7601217265   1.3494210693   0.1824429318
C    2.9854359871  -2.4253480477  -0.6575084976
C    2.1243912399  -2.3567991520   0.5970228037
C   -2.3087429532  -0.3391380453  -0.0943946045
C    4.0174306180  -3.5479372738  -0.6161964915
C   -2.7114412165   0.9862018889  -0.2355703859
C   -0.4913973595   1.0058020037   0.0443247822
C   -0.1152609430  -1.4831647446   0.2009345477
C   -3.2469643733  -1.3601093665  -0.1189900920
C   -4.0315587421   1.3508456187  -0.4145381605
C    5.0436005751  -3.4111445097   0.5008428231
C   -4.5778199886  -1.0002342961  -0.2974320838
C   -4.9680776013   0.3279980698  -0.4455580749
C    1.1060726044   2.6592568178   0.1092656148
C    2.9630755203   4.0994021198   0.2125680691
H    3.4933349717  -1.4659248830  -0.7974201455
H    2.3341308301  -2.5632689821  -1.5247192742
H    2.7420937389  -2.1872780325   1.4788969502
H    1.6057648579  -3.3013218167   0.7548852116
H    3.5050373128  -4.5103929771  -0.5274258313
H    4.5375043048  -3.5707933803  -1.5766224828
H    1.4839259523  -0.3210605305   0.5611004458
H   -2.9760907637  -2.3956521390  -0.0049229195
H   -4.3166424059   2.3883352987  -0.5216563693
H    4.5941632840  -3.5032155023   1.4904127130
H    5.8084000945  -4.1848867002   0.4250572900
H    5.5499801961  -2.4447373346   0.4577112833
H   -5.3268795270  -1.7798199835  -0.3209513633
H   -6.0134518809   0.5674014953  -0.5838062873
H    2.5652016400   4.7326972719   1.0056375653
H    4.0345788002   3.9879881522   0.3538502951
H    2.7808128894   4.5723531315  -0.7525777438
H   -1.5320098413   2.7731356202  -0.2170706811
*