! 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   -2.2243757321   1.2023146245  -0.4022600233
O    3.2738681000  -2.1119691057  -0.8316766689
N    1.0552860412  -2.2395272241  -0.5385080103
C   -3.5362891856   1.7287619164  -0.1660115400
C   -1.9465678071  -0.0924187289  -0.1462882956
C   -0.2396619463  -1.7948827415  -0.2174491733
C    2.2652426942  -0.2751827337   0.2660292280
C   -0.6561145852  -0.5003867996  -0.4854425821
C    2.7626951880   0.8542169725  -0.3923909150
C   -3.3758343874   3.2305220032  -0.0581066829
C   -4.4848637984   1.3368372518  -1.2839427498
C    2.2411927216  -1.5976098344  -0.4229489235
C   -2.8379796190  -1.0056022993   0.4125895357
C   -1.1273249931  -2.7141041125   0.3390577259
C    1.8513911463  -0.2031370436   1.5920756978
C   -2.4151591924  -2.3093930316   0.6375938990
C    2.8137093848   2.0506495976   0.3178250002
C    3.2029157970   0.8101874036  -1.8265017405
C    1.9310488012   0.9925400785   2.2872988012
C    2.4089132197   2.1239725421   1.6429607033
H   -3.9122744566   1.3538502757   0.7913229878
H    0.0065330192   0.2135376292  -0.9557623990
H    1.1237754930  -3.1997060636  -0.8511936445
H   -2.6994142708   3.5013951147   0.7528968075
H   -2.9946525735   3.6592123479  -0.9863178179
H   -4.3419817657   3.6894955662   0.1495506200
H   -4.1501914163   1.7460001355  -2.2386726594
H   -5.4794946781   1.7334901080  -1.0792695494
H   -4.5826062250   0.2563824800  -1.3928679447
H   -3.8504021727  -0.7328563362   0.6731363837
H   -0.8088347613  -3.7287819449   0.5391164292
H    1.4677445712  -1.0859918782   2.0881801420
H   -3.1099655465  -3.0191441859   1.0663955313
H    3.1767765680   2.9422781334  -0.1785010912
H    2.4696186340   0.3162177335  -2.4661727730
H    3.3490958052   1.8168305207  -2.2143892007
H    4.1440545309   0.2730147079  -1.9430242316
H    1.6150780893   1.0406687250   3.3205913399
H    2.4649660334   3.0675119310   2.1698321550
*