! 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   -0.8024115847  -2.7805102042  -0.2975117883
O    2.5817750725   2.2957153394   0.4764107955
O    0.5923103933   3.2998508483   0.2598781530
N   -0.9497657162  -0.5391072371   0.0453957619
N    1.0596665431  -1.6697117016   0.3779348415
N   -1.4879820503   1.5861713009   0.0231190486
N    0.8203641576   0.9950439085   0.3096281926
C    2.9888775615  -2.6007235316  -0.8591628420
C    1.9888683524  -2.7780720256   0.2753101209
C   -2.3417950322  -0.4678192597  -0.1276165692
C    3.8597188940  -1.3502275439  -0.7596662518
C   -2.6646049241   0.8867217407  -0.1365919681
C   -0.4490470986   0.7461478733   0.1395300147
C   -0.2154152130  -1.7608104462   0.0180812603
C   -3.3382543348  -1.4244127971  -0.2492685038
C   -3.9605512246   1.3442038935  -0.2749878171
C    4.6937896964  -1.2762607704   0.5113050747
C   -4.6450071784  -0.9709885976  -0.3879606604
C   -4.9554733825   0.3862564920  -0.4040031726
C    1.2578224537   2.2785821304   0.3412760847
C    3.2144007757   3.5705757058   0.5174268844
H    2.4501091940  -2.5971238954  -1.8104393758
H    3.6308229118  -3.4863807638  -0.8689344199
H    2.5075326021  -2.8781997020   1.2301212140
H    1.4276882993  -3.6988052393   0.1347799514
H    4.5243152727  -1.3295161485  -1.6264792664
H    3.2437645700  -0.4499231179  -0.8423115381
H    1.4269687666  -0.7290345255   0.5169004244
H   -3.1298131307  -2.4805253799  -0.2381228531
H   -4.1845619163   2.4019509899  -0.2787342291
H    4.0773620865  -1.1841727709   1.4071997138
H    5.3150725884  -2.1659869697   0.6311189075
H    5.3577955422  -0.4115294182   0.4926142946
H   -5.4387655748  -1.6988094844  -0.4862759524
H   -5.9843231420   0.6997008221  -0.5155152482
H    2.8803377295   4.1621218301   1.3700595495
H    4.2776052974   3.3716945937   0.6207263089
H    3.0479462196   4.1353210041  -0.4000810009
H   -1.3775508867   2.5900209300   0.0580911978
*