! 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   -4.5710973885   0.5272435198  -0.2872754828
O   -1.2522626888  -0.6041602831  -0.6721162681
N   -2.1492054427   1.5352578457  -0.5532909904
N   -2.2456090887   2.6076855264   0.2366307614
N   -2.2675009529   3.2118740337  -1.9233551863
C   -3.9011249013  -1.5503569226   0.8354372927
C   -3.5713306489  -0.4587534713  -0.2098722024
C   -2.1804438251   0.1951384702  -0.0042606164
C   -2.7723930629  -2.5780421643   0.9405522882
C   -4.1446346359  -0.9421269927   2.2196916535
C   -5.1705054807  -2.2732363694   0.3776178294
C    0.0776328794  -0.4923212327  -0.3962514433
C   -2.1786969720   1.9071345577  -1.8335556800
C    0.8915706150  -1.4565265661  -0.9834825916
C    0.6415279677   0.4957535974   0.4004646063
C   -2.3078312950   3.5858262819  -0.6299601410
C    2.8510441482  -0.4347766491   0.0056975094
C    2.2580808559  -1.4248729043  -0.7815090280
C    2.0167610032   0.5136251660   0.5903358139
C    4.3125527510  -0.3890886732   0.2052504428
C    5.0503846236  -1.5612405535   0.3817160140
C    4.9903735391   0.8315903071   0.2205824305
C    6.4237086553  -1.5134347514   0.5721435220
C    6.3634805791   0.8793654356   0.4102087212
C    7.0861309850  -0.2930770129   0.5880786005
H   -3.5471229501  -0.9285116376  -1.1991627243
H   -1.9417397569   0.3039977867   1.0586272571
H   -1.8608501042  -2.1681719334   1.3784756649
H   -3.0890028217  -3.3963412441   1.5895291346
H   -2.5179707562  -3.0105291880  -0.0282770895
H   -5.0132137199  -0.2801114883   2.2495500793
H   -3.2844256615  -0.3853114464   2.5973460864
H   -4.3453671374  -1.7352818923   2.9414740276
H   -6.0243208319  -1.5997230519   0.2978155391
H   -5.4374583261  -3.0568937937   1.0885103026
H   -5.0275624959  -2.7482541376  -0.5952747453
H   -4.7383692803   0.8917334998   0.5880662365
H   -2.1249687801   1.2157013598  -2.6596293534
H    0.4498045219  -2.2252680642  -1.6047492420
H    0.0481186998   1.2608582832   0.8812650649
H   -2.3805351456   4.6148752501  -0.3154575921
H    2.8726429384  -2.1750282709  -1.2629090146
H    2.4356943432   1.2849768546   1.2239337445
H    4.5463005463  -2.5198400998   0.3911271011
H    4.4437584913   1.7530547793   0.0619991411
H    6.9763136477  -2.4327236242   0.7163140267
H    6.8703131238   1.8355441039   0.4110224094
H    8.1571582745  -0.2560017156   0.7372619493
*