! 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   -2.3146691428  -1.1208606334  -1.1088697458
O   -0.5637472721   3.2157971727  -0.7075638935
O   -1.8441657029   1.2447663422   0.4398209009
O   -3.3469004782  -1.4875353744   0.8325967074
N   -0.1213856652  -0.1969617029   0.3164526217
C   -0.9431235612  -1.3014305183   0.8081196602
C    1.2819901487  -0.4176647574   0.1802299442
C    2.1556252564  -0.0182356597   1.1971304993
C    1.7500714925  -1.0611745617  -0.9750334184
C   -0.9894441340  -1.3867872926   2.3230824452
C   -0.6754495460   1.0255337198   0.1636036456
C   -2.3401566835  -1.2798000929   0.2002719451
C    3.5145593066  -0.2910550670   1.0424497448
C    3.1104415933  -1.3181665000  -1.0859758403
C    1.7211149415   0.7116532945   2.4355534974
C    0.8220023948  -1.4588295103  -2.0820042833
C    3.9889774939  -0.9408718337  -0.0810164334
C    0.2278028114   2.1043490062  -0.4031590041
C   -3.5691865429  -1.0620495884  -1.7866076716
C    0.2042753300   4.2760302660  -1.2322107190
H   -0.4783986206  -2.2191447633   0.4322393766
H   -1.5521107413  -2.2639087293   2.6380938275
H    0.0184462100  -1.4957181762   2.7202064282
H   -1.4457157314  -0.5050683874   2.7710343471
H    4.2037780393   0.0146769167   1.8202031200
H    3.4858283716  -1.8124572608  -1.9731613759
H    2.2395944386   1.6684951443   2.5117561837
H    0.6545876098   0.9140453626   2.4818278303
H    1.9812381209   0.1409687531   3.3278782863
H    0.1115059233  -0.6707690511  -2.3284255785
H    1.3867640020  -1.6948946335  -2.9827029540
H    0.2397257394  -2.3466386087  -1.8264305980
H    5.0466700453  -1.1457756133  -0.1818648858
H    1.0076283350   2.3588203711   0.3285715464
H    0.7501768023   1.7227947568  -1.2920994344
H   -4.1837146879  -0.2420344796  -1.4143625846
H   -4.1192809985  -1.9984809238  -1.6938741973
H   -3.3357195873  -0.8866109632  -2.8327369389
H    0.7140093648   3.9945810904  -2.1603560388
H    0.9614302513   4.6257229920  -0.5214464365
H   -0.4730259699   5.1011491819  -1.4477433973
*