! 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    3.9361831848   0.2770282638   1.3503433018
O    1.3298274181   0.4288350944   0.5446859133
N    2.1984998637  -1.6354148510  -0.1170644165
N    2.5112778258  -2.1909762856   1.0601738457
N    2.0641578746  -3.7757082033  -0.4598449748
C    3.9195165735   1.7766496072  -0.5269543323
C    3.6432383366   0.3442745793  -0.0227129675
C    2.2322410062  -0.1950749292  -0.3133809067
C    3.6147641360   1.8610905842  -2.0234236099
C    3.1238344231   2.8530159840   0.2136743859
C    5.4155683458   2.0479497735  -0.3268146225
C   -0.0113974448   0.3562841481   0.3334906994
C    1.9406098547  -2.5935842258  -1.0092049442
C   -0.7951567370   1.0144422032   1.2779504805
C   -0.6231632321  -0.2996592298  -0.7270921241
C    2.4130231758  -3.4692621388   0.8039472755
C   -2.8095658811   0.3365474418   0.1182835668
C   -2.1715268174   1.0059800736   1.1655941569
C   -2.0088926677  -0.3069572879  -0.8200248957
C   -4.2816295849   0.3095175410   0.0189441833
C   -4.9510201355  -0.8557140784  -0.3596687130
C   -5.0383779071   1.4459430849   0.3107657927
C   -6.3355419511  -0.8845607952  -0.4404134816
C   -6.4226563114   1.4174049434   0.2287648209
C   -7.0774795281   0.2515451453  -0.1456939043
H    4.3119893810  -0.3126332565  -0.6009285967
H    1.9875193892  -0.0386735212  -1.3677699541
H    2.5472735601   1.7952973862  -2.2420494812
H    3.9548307442   2.8190724668  -2.4198083191
H    4.1225515038   1.0764633572  -2.5893375464
H    3.2607557176   2.7964779986   1.2937360479
H    2.0552438518   2.8059628245   0.0070800638
H    3.4677497768   3.8395588943  -0.1038914868
H    5.6942019795   2.0719301644   0.7266244931
H    5.6816197059   3.0157151042  -0.7554800916
H    6.0308664360   1.2914372611  -0.8194043810
H    3.7941172019  -0.6304690310   1.6534399743
H    1.6828020372  -2.3894182515  -2.0366473126
H   -0.3192468553   1.5259446528   2.1048081161
H   -0.0620950086  -0.8008547731  -1.5020847024
H    2.6018810843  -4.2133580906   1.5611376470
H   -2.7580004984   1.5112144911   1.9223928272
H   -2.4628656321  -0.8172282343  -1.6600083409
H   -4.3877227006  -1.7561974225  -0.5713706889
H   -4.5418309001   2.3680324144   0.5867712298
H   -6.8359164875  -1.8009032068  -0.7251820508
H   -6.9901936632   2.3113503460   0.4520161795
H   -8.1575031563   0.2284413732  -0.2062467949
*