! 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   -0.4857359779   1.9001975793  -0.7048618829
N   -2.1986853152   0.5084632235  -0.1917179669
N   -0.4751778592  -1.4535376236   0.4149209489
N   -1.7958402336  -1.6836844194   0.4656664647
N   -3.1508026483   1.4727484353  -0.4949362930
C    0.0066343294  -0.3039422521   0.0721093019
C    1.4705887821  -0.1542655403   0.0292780599
C   -0.8558184352   0.8106062813  -0.3093220865
C   -2.6261082610  -0.7261688361   0.1849428059
C    2.1004624173   1.0112339730   0.4686748170
C    2.2536110931  -1.2196955534  -0.4178565723
C   -4.0828664763  -0.9877659900   0.2728278464
C    3.4840587640   1.1047174831   0.4578014959
C    3.6354674495  -1.1183784281  -0.4357718080
C    4.2553021273   0.0451669115   0.0006949423
H    1.5214507758   1.8421730622   0.8448942574
H    1.7776691258  -2.1271140640  -0.7651889363
H   -4.2381194487  -2.0130715422   0.5958545723
H   -4.5712495134  -0.8435513953  -0.6901547357
H   -4.5610987433  -0.3150646109   0.9835408700
H    3.9594836662   2.0105898895   0.8097508205
H    4.2289116509  -1.9489298822  -0.7942203494
H    5.3341476762   0.1252876867  -0.0150798887
H   -2.9260752539   2.3126862940   0.0265795117
H   -3.0731775273   1.7003374865  -1.4804503922
*