! 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   -3.2930629763  -1.3199233368   0.2727174096
O   -0.2305352668   3.3628994502  -0.5785001314
O   -1.7045297786   1.3443706794   0.4729276956
O   -2.1305737576  -0.7724221265  -1.5464607257
N   -0.0179806406  -0.1272954184   0.2712248457
C   -0.9300141880  -1.2482518674   0.4883741398
C    1.3831329060  -0.3895933957   0.2387947076
C    2.1636127468  -0.1610861256   1.3763402724
C    1.9436704262  -0.8898600545  -0.9461235388
C   -1.1887407639  -1.5286929788   1.9592970253
C   -0.5194586540   1.1253188625   0.2654361111
C   -2.1742030606  -1.0538597798  -0.3745368796
C    3.5226097039  -0.4701383757   1.3143364563
C    3.2995886234  -1.1878221987  -0.9629628791
C    1.6311082514   0.4304424158   2.6493950630
C    1.1183896388  -1.0756356408  -2.1828474183
C    4.0852882383  -0.9864911154   0.1628482067
C    0.4474912522   2.2635867686  -0.0406163539
C   -4.5148476679  -1.2023178436  -0.4587308446
C   -0.6149774433   3.1595028640  -1.9233850889
H   -0.4360834799  -2.1285035224   0.0654220799
H   -0.2422992428  -1.7184260093   2.4648713383
H   -1.6890412653  -0.7011734719   2.4601679425
H   -1.7947435733  -2.4250691528   2.0799395856
H    4.1411267732  -0.2989213969   2.1870154480
H    3.7472077889  -1.5717506118  -1.8710754464
H    2.0716997757   1.4134691468   2.8251430194
H    0.5515820768   0.5512202607   2.6655754635
H    1.9006946442  -0.1915134624   3.5031842940
H    0.4678523424  -0.2227339336  -2.3736691482
H    1.7624005498  -1.2095001479  -3.0511104708
H    0.4747921684  -1.9556188141  -2.1191748245
H    5.1408864331  -1.2227170390   0.1346715476
H    0.9146702311   2.5878060499   0.8942434544
H    1.2560863920   1.9313803938  -0.7024808863
H   -4.5436622619  -1.8882497286  -1.3044497048
H   -4.6659414221  -0.1829996423  -0.8128248889
H   -5.3061713968  -1.4592986425   0.2389712376
H    0.2493622595   2.9439425308  -2.5611363262
H   -1.0804399943   4.0781381477  -2.2771728515
H   -1.3384542312   2.3461129406  -2.0397292675
*