! 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    1.2523935868   1.4114379429  -0.6924555001
O   -4.7838652803  -1.8372665888   0.0365146663
O    1.7595145461  -0.0302717397   0.9721647507
O   -5.1589369342   0.3560560124   0.3944192487
N   -3.0619193684  -0.4764589473   0.0007912363
N    3.2704704758   0.5378979630  -0.6528187922
C   -2.2540234065   0.6578523405   0.0746772785
C   -0.0484660101   1.5532286503  -0.2454299083
C   -0.9247624911   0.4880342906  -0.3148661172
C   -2.6811141376   1.9100437860   0.5189019236
C   -0.4507296621   2.8007034650   0.1959554046
C   -1.7766625783   2.9603207674   0.5668331494
C    4.4039820390  -0.1947525088  -0.2749886354
C    4.3504350092  -1.3614209801   0.4851839335
C    5.6362327470   0.2639570751  -0.7397785876
C    2.0782063724   0.5711271592  -0.0244344462
C   -4.4068625253  -0.5656525552   0.1621154370
C    5.5247332985  -2.0419992039   0.7770636615
C    6.7985190594  -0.4299561585  -0.4485120481
C    6.7515604715  -1.5873216897   0.3167856847
C   -6.1863405833  -2.1378481967   0.1091069238
C   -6.8903199628  -1.8881108937  -1.2034105648
H   -0.5880874736  -0.4732350378  -0.6839874070
H   -3.6988696766   2.0793659630   0.8275641010
H    0.2483106734   3.6247148863   0.2395159619
H   -2.1178917307   3.9272213914   0.9111070887
H   -2.5862096176  -1.3367121649  -0.2311112494
H    3.3943939008   1.1786362252  -1.4239677447
H    3.4119662978  -1.7558272299   0.8415552172
H    5.6834162681   1.1689128570  -1.3334961282
H    5.4702343900  -2.9473229578   1.3672061190
H    7.7441339076  -0.0586092962  -0.8205486401
H    7.6584264167  -2.1297412751   0.5471542389
H   -6.6505226956  -1.5816100301   0.9239568349
H   -6.2219211288  -3.1945809287   0.3671991153
H   -7.9255066358  -2.2197157405  -1.1182685305
H   -6.4279623136  -2.4498750440  -2.0151291214
H   -6.9017570057  -0.8324184115  -1.4723244789
*