! 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    2.3524696034   0.6510667898   1.0268896420
O    0.5075959267   1.5981800252  -0.9869287743
O    3.6070171815   1.2037636208  -0.7337233718
N    0.5877251318  -0.6146304974  -0.6369124184
C    2.0126624192  -0.5760750059  -0.9710497811
C   -0.0950347395  -1.8671437763  -0.5642140711
C   -0.4834011206  -2.4788467632  -1.7626995966
C   -0.3459100051  -2.4612346634   0.6745917571
C   -0.0765758413   0.5642939932  -0.6873823394
C   -1.5506915613   0.5773122928  -0.3472924249
C    2.7203224537  -1.8871565246  -0.6506085410
C    2.7244290215   0.5475955892  -0.2335344208
C   -1.1307487363  -3.7072632426  -1.7019797068
C   -0.9956333380  -3.6939310254   0.6937873906
C   -1.9112267477   1.8327788600   0.3965788414
C   -0.2014809119  -1.8398031925  -3.0895462051
C    0.0073338790  -1.7986731833   1.9711002895
C   -1.3837254290  -4.3134979792  -0.4808268136
C   -1.3641727007   2.0750454202   1.6560475773
C   -2.7901347620   2.7642303129  -0.1416651848
C   -1.6926084748   3.2219151251   2.3613528386
C   -3.1237994674   3.9148764433   0.5638110904
C   -2.5762566839   4.1467811473   1.8165687595
C    2.9188091713   1.7069392476   1.8017898602
H    2.1421131891  -0.3622392333  -2.0357483395
H   -1.8420762764  -0.2995310737   0.2306067732
H   -2.1087288405   0.5182956107  -1.2864517599
H    3.7792877430  -1.7891854001  -0.8874540085
H    2.6307610179  -2.1582072864   0.4008700433
H    2.3310119083  -2.7070817621  -1.2517046674
H   -1.4386109118  -4.1922546085  -2.6198367875
H   -1.1974076696  -4.1691182297   1.6459520207
H   -0.7053420201  -2.3781436259  -3.8905292087
H   -0.5350234479  -0.8022177341  -3.1346351011
H    0.8651903809  -1.8448618980  -3.3236354372
H    0.2719382383  -2.5399797970   2.7239965604
H    0.8327527069  -1.0990754417   1.8811802878
H   -0.8481264039  -1.2427229178   2.3634113004
H   -1.8860200576  -5.2713650840  -0.4465953011
H   -0.6700937215   1.3641694734   2.0914919455
H   -3.2205703393   2.5911901058  -1.1204780399
H   -1.2589510872   3.3956537451   3.3375106840
H   -3.8109876166   4.6298431134   0.1306032857
H   -2.8338669764   5.0421342410   2.3668086171
H    2.4305140898   1.6605269544   2.7705957459
H    2.7243666661   2.6783891164   1.3480432078
H    3.9920425713   1.5746459606   1.9345129153
*