! 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    2.4913926924  -1.9125525624   0.6292396082
O    1.9485882838  -1.2917681594  -1.4481788528
O   -0.4241102465   1.9793744510  -1.5960148041
O    2.5015189922   1.3204183065   0.2363911354
N    0.7056426030  -0.6667644427   0.3936070038
N   -0.0984469888   0.2446184065  -0.2259796962
C    0.8994043260  -0.6727907447   1.8294177895
C   -1.5041374963   0.0204864992  -0.0910461044
C    1.9151210457  -1.8029708005   1.9421577948
C   -2.1037449451  -1.0337177395  -0.7837760085
C   -2.2274175484   0.8516710057   0.7699700100
C    1.7266920668  -1.2815399795  -0.2625890712
C    0.3564507069   1.3290107367  -0.9232495136
C   -3.4632842651  -1.2550830068  -0.5854914355
C   -3.5857267458   0.5972721332   0.9364428925
C   -1.3290003187  -1.9150766545  -1.7140869925
C   -1.5963114234   2.0095126632   1.4833424962
C   -4.1992370468  -0.4489500964   0.2678441707
C    1.8172273546   1.7227809328  -0.9135941673
C    3.9008093065   1.4349648298   0.1070820789
H   -0.0235782074  -0.9059584785   2.3577539772
H    1.2871285597   0.2822659268   2.1840592991
H    2.7086287050  -1.5941562621   2.6541598272
H    1.4448168351  -2.7529689941   2.1934812153
H   -3.9492110632  -2.0657926740  -1.1139175086
H   -4.1638590547   1.2260799735   1.6019659621
H   -0.7305985866  -2.6481391610  -1.1702684940
H   -2.0063864670  -2.4708611409  -2.3605426723
H   -0.6511060779  -1.3480734045  -2.3503117255
H   -0.5952169717   1.7915145265   1.8540546809
H   -1.5114957891   2.8770195238   0.8260052714
H   -2.2020874099   2.3105742292   2.3363365243
H   -5.2555360713  -0.6354963052   0.4104242313
H    1.8361176516   2.8133493552  -1.0262228569
H    2.2654264124   1.3091390102  -1.8271417794
H    4.2122040778   2.4689709418  -0.0749539105
H    4.2861533195   0.8116564083  -0.7066125132
H    4.3458875646   1.1000971492   1.0423090323
*