! 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   -4.5694150186   0.4834872721  -0.3496261872
O   -1.2508734204  -0.6773120640  -0.6070827751
N   -2.1308614933   1.4695821932  -0.5051689814
N   -2.2580360222   2.5368479154   0.2863053770
N   -2.1511385846   3.1576631476  -1.8654918758
C   -3.9709351733  -1.6118779232   0.7801265943
C   -3.5841599076  -0.5133508219  -0.2378943887
C   -2.1964827787   0.1254665186   0.0315382685
C   -4.2639565750  -1.0159960593   2.1598851386
C   -5.2287526934  -2.3131609642   0.2608609216
C   -2.8598711101  -2.6543295840   0.9191501188
C    0.0764964639  -0.5320830951  -0.3355529402
C   -2.0827018369   1.8510886112  -1.7817645057
C    0.9152214190  -1.4461907600  -0.9665565658
C    0.6166427374   0.4427550873   0.4933689911
C   -2.2609910218   3.5220566163  -0.5735035729
C    2.8520895972  -0.3892858241   0.0296317407
C    2.2823667921  -1.3730323905  -0.7822966657
C    1.9933247858   0.5036457020   0.6640050915
C    4.3153282070  -0.2893174408   0.1943406855
C    4.9420461217   0.9578777627   0.2327519591
C    5.1066111314  -1.4342117537   0.3046913533
C    6.3176886064   1.0576542703   0.3778876865
C    6.4825159987  -1.3344063038   0.4503967954
C    7.0941089387  -0.0883031688   0.4874491880
H   -3.5214479506  -0.9739965599  -1.2297853562
H   -1.9992305753   0.2232826537   1.1041512311
H   -3.4115577402  -0.4775374983   2.5792738853
H   -5.1219542224  -0.3396937248   2.1601857171
H   -4.5085036203  -1.8139205774   2.8626221684
H   -6.0719060987  -1.6292764095   0.1604270214
H   -5.5311798696  -3.1066569585   0.9463521291
H   -5.0523929462  -2.7720844940  -0.7144190104
H   -1.9613902057  -2.2594357239   1.3957455981
H   -2.5736875093  -3.0798788952  -0.0438662469
H   -3.2120987246  -3.4748885851   1.5466249961
H   -4.7790948119   0.8340902674   0.5225540854
H   -1.9881680545   1.1655898766  -2.6088988525
H    0.4917834037  -2.2057754190  -1.6111690111
H    0.0037201727   1.1658139174   1.0130471820
H   -2.3398761353   4.5493402042  -0.2551935464
H    2.9158300103  -2.0816662394  -1.3005269127
H    2.3942405881   1.2655151093   1.3202243871
H    4.3524784823   1.8599859862   0.1257997322
H    4.6435797990  -2.4132396419   0.2954865069
H    6.7841747859   2.0339482177   0.3954033298
H    7.0775739982  -2.2335853733   0.5421418483
H    8.1674803655  -0.0108626942   0.5994075845
*