! 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    2.9536350757   2.4895838574   0.4855933531
O    1.0445916286   0.7427558692   0.8872662374
N    2.1725529348  -1.0041712050  -0.1388017328
N    2.1446063824  -1.6395602517  -1.3147429459
N    2.4009109439  -3.1022854185   0.3655671761
C    4.6259066411   0.8867493294  -0.3144405068
C    3.3159857737   1.1261145218   0.4804001953
C    2.0474808905   0.4334634732  -0.0415282427
C    5.6753248033   1.8557406362   0.2485758311
C    5.1689205330  -0.5313183121  -0.1069943726
C    4.4489341115   1.1610876846  -1.8068746036
C   -0.2683084216   0.5376952529   0.5951167412
C    2.3245547252  -1.8883660257   0.8516177271
C   -0.7552465555   0.0525235642  -0.6119890324
C   -1.1564353871   0.8598734359   1.6181812935
C    2.2916526268  -2.8900332201  -0.9620044639
C   -3.0304030671   0.2133817587   0.2295968648
C   -2.1254318941  -0.1043039414  -0.7793802130
C   -2.5154757366   0.7022451481   1.4327703087
C   -4.4839038363   0.0411236138   0.0403604098
C   -5.3854079567   0.9782033552   0.5495799908
C   -4.9918095133  -1.0624939368  -0.6477934929
C   -6.7518929719   0.8179668779   0.3740348068
C   -6.3584049590  -1.2226990487  -0.8234580645
C   -7.2446120825  -0.2829336995  -0.3138625456
H    3.4868016659   0.7694719208   1.5080932709
H    1.8030531155   0.7943148061  -1.0451958008
H    5.4547068654   2.8992359355   0.0196980326
H    5.7795781878   1.7578123186   1.3326589804
H    6.6512865039   1.6403045017  -0.1880205917
H    4.6208683043  -1.2922599000  -0.6600969807
H    5.1803663868  -0.8137090660   0.9481607420
H    6.1995627807  -0.5819543092  -0.4631291280
H    4.0511553860   2.1599212430  -1.9928691655
H    3.7870765321   0.4381123347  -2.2867849572
H    5.4119385650   1.0952192621  -2.3170706926
H    3.5480703796   2.9611139335   1.0766531917
H    2.3681409824  -1.6178682533   1.8947151203
H   -0.1034265387  -0.2055713198  -1.4350517737
H   -0.7733108723   1.2304109692   2.5603939961
H    2.3132853574  -3.6847909665  -1.6905539434
H   -2.4864946932  -0.4686266458  -1.7328249850
H   -3.1831053405   0.9454360675   2.2495461069
H   -5.0169009517   1.8524328400   1.0719185449
H   -4.3153807912  -1.8159572898  -1.0318836113
H   -7.4331001016   1.5600160820   0.7696314980
H   -6.7316361212  -2.0898808780  -1.3523748928
H   -8.3105671288  -0.4076605553  -0.4511965184
*