! 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    4.0287959317  -0.5587269356   0.1224971134
O    3.6879037659   1.6916873914  -0.1320987041
O   -1.3720809507   2.4645936566  -0.1760472276
O   -3.9874670161   1.8708114670  -0.1191480378
O   -4.5698628030  -0.2625758040   0.1062842681
N   -0.7149144760  -1.5347101697   0.2972068651
C    0.3753429995  -0.6852455235   0.1755057108
C    0.1491985877   0.6890177777   0.0164895798
C    1.6851815205  -1.2055936161   0.2219453959
C   -0.5418727451  -2.9899661059   0.3928167266
C    2.7062987452  -0.3088998053   0.1085989066
C    2.4921981559   1.0591343475  -0.0464029324
C    1.2391150224   1.5806324005  -0.0954487481
C   -1.9509595774  -1.0505558972   0.2284991380
C   -1.2050283929   1.2517118430  -0.0394385510
C   -2.2649964638   0.2769470327   0.0705678981
C    4.6952710380   0.6940827305  -0.0255698154
C   -0.2997813512  -3.6397504106  -0.9542364305
C   -3.7009225065   0.5851313642   0.0241626328
H    1.8945451220  -2.2576581200   0.3405705561
H    0.2601952876  -3.2030379160   1.0964646841
H   -1.4492041952  -3.3849348759   0.8436942927
H    1.0659118664   2.6405092579  -0.2153796481
H   -2.7370929124  -1.7877203418   0.3121501279
H    5.3025501713   0.6800614518  -0.9318004735
H    5.3156786714   0.8839342558   0.8516565078
H   -0.1869803601  -4.7146792006  -0.8176839992
H   -1.1433251606  -3.4716410666  -1.6236092588
H    0.6016688770  -3.2702199215  -1.4418148729
H   -4.9512892016   1.9742005892  -0.1469508346
*