! 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    2.1788754614  -2.4771809222   0.7932777117
O    1.9237621312  -1.6240560892  -1.2560569093
O   -0.0424196168   2.1478648028  -1.0140665782
O    2.5078858645   2.7574876142  -0.4165946856
N    0.7164544202  -0.8648545368   0.5632537589
N    0.0034806352   0.1246164369  -0.0485147635
C    0.7823958272  -1.0337347545   2.0032206698
C   -1.4211782739  -0.0137003724  -0.0537611714
C    1.5108012699  -2.3680428630   2.0647485376
C   -2.0234384747  -0.8999389219  -0.9512576660
C   -2.1702345614   0.7285457188   0.8670210756
C    1.6175139900  -1.6501660579  -0.0904810954
C    0.6009552184   1.2921473008  -0.4444914271
C   -3.4064882060  -1.0462762195  -0.9004331784
C   -3.5514222151   0.5540551771   0.8796441702
C   -1.2344026613  -1.6887032152  -1.9498523136
C   -1.5536705497   1.7195189483   1.8090477735
C   -4.1661965881  -0.3279938576   0.0075838157
C    2.0786557991   1.4636568300  -0.1148941013
C    2.9302948871   2.9142705795  -1.7562946306
H   -0.2084466645  -1.0931302796   2.4495387274
H    1.3416716626  -0.2234854103   2.4762793283
H    2.2551831545  -2.4166616501   2.8535841284
H    0.8183780306  -3.2035289954   2.1629209021
H   -3.8907495156  -1.7275745956  -1.5887599679
H   -4.1482679512   1.1171759023   1.5860951698
H   -1.8846944466  -2.0421445564  -2.7486892344
H   -0.4357519944  -1.1040005151  -2.4015752777
H   -0.7798659954  -2.5708112290  -1.4954718155
H   -1.4129444965   2.6865279064   1.3236797714
H   -2.2043779346   1.8826975969   2.6666826404
H   -0.5829080161   1.4101037394   2.1945330101
H   -5.2406342197  -0.4533033167   0.0333323091
H    2.6798096124   0.7131478570  -0.6405920904
H    2.2294021583   1.3035882125   0.9568599005
H    2.1416861083   2.6921549330  -2.4766207049
H    3.7910923629   2.2771548777  -1.9803044829
H    3.2300300990   3.9519631390  -1.8864558340
*