! 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   -0.6038720314  -2.6465456032  -0.8024397615
O    2.5585615465   2.5847573343   0.0544188494
O    0.5197303101   3.3729032927   0.5331233651
N   -0.8338024833  -0.4206091039  -0.4110223135
N    1.2141556720  -1.3138883772  -1.0722080691
N   -1.4608419476   1.5788343826   0.2303114569
N    0.8722494400   1.1931504668  -0.1706223700
C    3.3330918686  -2.2574749270  -0.2651930534
C    2.1986066470  -2.3600276840  -1.2735815409
C   -2.2286109873  -0.4586394676  -0.2459311045
C    2.8956883637  -2.4586872332   1.1792925927
C   -2.6075271986   0.8188228186   0.1575435009
C   -0.3864655614   0.8522938213  -0.1094387216
C   -0.0552167872  -1.5594744017  -0.7696793419
C   -3.1854794989  -1.4471694760  -0.4206609793
C   -3.9209873762   1.1654533736   0.4072243089
C    4.0564666393  -2.3429676215   2.1553594048
C   -4.5097960683  -1.1054473949  -0.1713224634
C   -4.8762320066   0.1742657197   0.2370103451
C    1.2383578406   2.4541720846   0.1696671587
C    3.1157072728   3.8540987709   0.3814672097
H    3.8275355502  -1.2858578368  -0.3715335851
H    4.0823551770  -3.0077289581  -0.5321858303
H    1.7108170041  -3.3300924631  -1.1988358570
H    2.5966447215  -2.2827067588  -2.2868561065
H    2.1304705644  -1.7229595087   1.4426206064
H    2.4237251779  -3.4403671256   1.2806970491
H    1.5502108129  -0.3664016650  -0.9044082502
H   -2.9350753416  -2.4457822895  -0.7353800705
H   -4.1866846884   2.1662314395   0.7187581994
H    4.5216716367  -1.3568534943   2.1001606546
H    3.7300103704  -2.4941096445   3.1848110319
H    4.8307729976  -3.0827286551   1.9436554527
H   -5.2729006195  -1.8607940622  -0.3002301324
H   -5.9172024094   0.4005367519   0.4226602596
H    2.7357483839   4.6434364544  -0.2674090427
H    2.9291962597   4.1218832053   1.4216697947
H    4.1870904863   3.7573910268   0.2287248946
H   -1.3903285344   2.5504041960   0.4993612698
*