! 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   -0.4964783634  -2.5930963756   0.7757824356
O    2.5098043593   2.7784964526   0.1859989019
O    0.4662247705   3.5006835211  -0.3703578691
N   -0.7744531298  -0.3758197773   0.3701341437
N    1.2791592560  -1.2143800734   1.0881033662
N   -1.4448917934   1.6169996206  -0.2510701538
N    0.8766547627   1.3093784611   0.2638061181
C    3.2824626132  -2.3593817080   0.2073293284
C    2.2744860478  -2.2376772332   1.3416562108
C   -2.1566884681  -0.4609794777   0.1301000509
C    2.6844767822  -2.8186150824  -1.1154047233
C   -2.5627129958   0.8122921012  -0.2614152330
C   -0.3626501310   0.9218060117   0.1264304587
C    0.0242413204  -1.4926713692   0.7530372651
C   -3.0845930700  -1.4878543283   0.2230927121
C   -3.8718587059   1.1178083260  -0.5777816479
C    3.7336967725  -2.9376167920  -2.2107784396
C   -4.4047937520  -1.1874316585  -0.0927539082
C   -4.7969698603   0.0885784795  -0.4882098013
C    1.2044985596   2.5977854631  -0.0068039043
C    3.0265266125   4.0842017500  -0.0511195425
H    4.0530584894  -3.0669056571   0.5263652017
H    3.7895863756  -1.3987538194   0.0702927423
H    2.7933595127  -1.9836785179   2.2667387463
H    1.7726122879  -3.1883775307   1.5119500876
H    2.1883379522  -3.7830001206  -0.9738666460
H    1.9087393329  -2.1187327889  -1.4384450384
H    1.5973994203  -0.2582428848   0.9413686188
H   -2.8172071684  -2.4854926318   0.5258536818
H   -4.1553943622   2.1163190391  -0.8801904157
H    4.2226964977  -1.9791920454  -2.3946395323
H    4.5100572161  -3.6558076369  -1.9410539025
H    3.2931284282  -3.2673979842  -3.1521774351
H   -5.1440526262  -1.9739199308  -0.0277028550
H   -5.8335369238   0.2816830099  -0.7276853643
H    2.5797606899   4.8228340608   0.6145933360
H    4.0919727900   4.0235057132   0.1519058585
H    2.8794483496   4.3955606055  -1.0854643810
H   -1.3992501569   2.5980554920  -0.4884762192
*