! 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   -0.3397671346  -2.5886423063   0.5779131826
O    2.5069568102   2.8836028072   0.1410066754
O    0.4290662326   3.5633171253  -0.3308144295
N   -0.6909584891  -0.3592418451   0.3378939403
N    1.4028183020  -1.1810702280   0.9516225143
N   -1.4351091920   1.6418922984  -0.1568700551
N    0.9157249361   1.3685818541   0.2345288519
C    3.4709314720  -2.1335203572  -0.0013009330
C    2.4361989116  -2.1852824005   1.1153590451
C   -2.0817832849  -0.4672539497   0.1611035851
C    2.9298404055  -2.4072149329  -1.3999558804
C   -2.5342292008   0.8122903461  -0.1488228501
C   -0.3203806073   0.9575749784   0.1358313735
C    0.1503532248  -1.4743830017   0.6222759554
C   -2.9803188138  -1.5198932937   0.2556831201
C   -3.8651500270   1.0999452835  -0.3809904831
C    2.3814004282  -3.8141061299  -1.5881280354
C   -4.3216605180  -1.2377774715   0.0238332177
C   -4.7613646181   0.0455279279  -0.2906994872
C    1.2020510881   2.6717388869  -0.0115148018
C    2.9829353485   4.2077019314  -0.0891549045
H    4.2503635735  -2.8624188575   0.2393737059
H    3.9579553485  -1.1540367469   0.0158017874
H    2.9316315106  -2.0126910178   2.0718529753
H    1.9712868109  -3.1664090868   1.1813553647
H    2.1582095685  -1.6736047894  -1.6518629831
H    3.7385620240  -2.2403443930  -2.1156632213
H    1.6876085165  -0.2076584942   0.8590768788
H   -2.6742975389  -2.5231548490   0.4976698563
H   -4.1889458171   2.1034311743  -0.6199874264
H    1.5083487246  -4.0030326360  -0.9628698508
H    2.0776316106  -3.9800233269  -2.6224637989
H    3.1330576703  -4.5670877945  -1.3425033920
H   -5.0397716682  -2.0435260895   0.0911622040
H   -5.8132938984   0.2250188985  -0.4652036023
H    2.8381623637   4.5103490370  -1.1259049121
H    2.5041623640   4.9308294098   0.5702046863
H    4.0467637528   4.1801673114   0.1272400523
H   -1.4206301832   2.6332052965  -0.3530885221
*