! 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   -2.7317368478   0.0812272014   1.0571706362
O    0.4956516053  -3.1683582116  -0.3563084222
O   -1.4440948921  -1.5473151913  -0.9879734693
O   -3.8706369445   0.4227899863  -0.8308834711
N   -0.3703546665   0.3245559758  -0.3704454473
C   -1.5666075765   1.0816384820  -0.7477149907
C    0.8300636858   1.0055924015  -0.0163288950
C    1.6196795899   1.5411666281  -1.0376561789
C    1.1894752820   1.1099155513   1.3291305204
C   -1.5118557736   2.5297727460  -0.2758999895
C   -0.4136776930  -1.0089768634  -0.5935912742
C   -2.8403439547   0.4574742249  -0.2000810998
C    2.7995632937   2.1895171505  -0.6873780405
C    2.3789930611   1.7625863555   1.6393011078
C    1.2259099574   1.4058391578  -2.4774537334
C    0.3514396328   0.5100341161   2.4156939915
C    3.1773543396   2.2986030781   0.6416048010
C    0.7791125752  -1.8383122307  -0.3516038124
C    2.1227723085  -1.6700553284  -0.1782683509
C    2.6825326730  -2.9700059378  -0.0680711092
C    1.6446321580  -3.8341245104  -0.1783655104
C   -3.8849086766  -0.4911393363   1.6746379136
H   -1.6755664492   1.0734619682  -1.8358668537
H   -1.3931649644   2.6086532481   0.8040913917
H   -0.7016456628   3.0778060334  -0.7531146676
H   -2.4406103989   3.0281807651  -0.5519923889
H    3.4283169084   2.6061962478  -1.4641695589
H    2.6807928973   1.8496369515   2.6755223802
H    0.9910249898   0.3747463171  -2.7462480240
H    0.3492060102   2.0104540243  -2.7199026297
H    2.0321032650   1.7380948748  -3.1291943589
H   -0.6664638126   0.8974078585   2.4094598704
H    0.2792921094  -0.5750477913   2.3178800469
H    0.7831233574   0.7230768081   3.3924339565
H    4.0994394216   2.8021261886   0.9007561335
H    2.6749735142  -0.7473593193  -0.1424948784
H    3.7198622733  -3.2224384297   0.0756140258
H    1.5801112716  -4.9099579442  -0.1465832690
H   -3.5839540387  -0.7513929811   2.6848972429
H   -4.2067602712  -1.3919789718   1.1528298058
H   -4.7097608335   0.2193340609   1.7171360146
*