! 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    0.4435819638   2.1921180938   0.0610970986
O   -0.6193555372  -2.2664393729  -0.0029456456
N   -0.1386132213  -0.0263430742   0.0152000170
N    1.5400088785  -1.6494853202   0.0234273259
C   -1.5712570789   0.3389362387  -0.0000639913
C   -2.2875555887  -0.0831809346  -1.2819166084
C   -2.3178334222  -0.0943112361   1.2606037329
C   -3.7132580224   0.4635582853  -1.2801582206
C   -3.7431843370   0.4523000385   1.2300844377
C   -4.4750346689   0.0227916887  -0.0358908399
C    2.1718202649   0.6153734300   0.0299986117
C    2.4909071279  -0.6903685634   0.0280114488
C    0.8028287137   1.0216903717   0.0394662965
C    3.3956281672   1.4781886384   0.0788291176
C    3.9592909496  -0.9288091537   0.0705647805
C    4.5219313979   0.4709334498  -0.2408870197
C    0.1995721710  -1.3640388685   0.0111904315
H   -1.5662325280   1.4277033265   0.0046713103
H   -2.3223682745  -1.1690313798  -1.3735751846
H   -1.7425460644   0.2983999139  -2.1487163287
H   -1.7934668458   0.2790686053   2.1436014202
H   -2.3542049877  -1.1810125176   1.3412866848
H   -4.2307088207   0.1326526011  -2.1831604803
H   -3.6877206832   1.5578426108  -1.3203236707
H   -3.7186050102   1.5461807971   1.2806933868
H   -4.2819317584   0.1134700277   2.1175305249
H   -5.4874595668   0.4331150080  -0.0461066858
H   -4.5805003902  -1.0676053082  -0.0420286975
H    3.3692404388   2.2989788866  -0.6389249053
H    3.5213231526   1.9267573659   1.0681475970
H    4.2410445213  -1.2819478614   1.0666645723
H    4.2809086183  -1.6904157091  -0.6410327649
H    4.7678786659   0.5282602062  -1.3012897234
H    5.4339949114   0.6767611631   0.3159345174
H    1.7915020239  -2.6284372074   0.0155243754
*