! 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    2.2908308353   0.9194613075  -1.2838619266
O   -2.3011205855   1.5659611240   0.1251627975
O    0.5615582693  -1.1378477854  -0.6627658077
O    2.7309724856   0.4650661975   3.2404920392
O   -5.2537016214  -1.5732885409   1.4467152212
O    5.4540322648  -1.8785334682   0.3006700108
O   -2.9561390910  -2.0758234819  -2.5559739812
O   -0.5838584558  -0.4559284720   1.1255972733
N    2.4993140820   0.7609161171   0.9830385201
N   -3.7842535500   0.0440558050   0.7693570045
N    3.8688941892  -0.4449971635  -0.5176672120
N   -2.6194623555  -0.2115231850  -1.2706121548
C   -0.0154808506   1.1279045552  -0.5556478128
C    1.1341704506   1.6497222085  -1.1550623299
C   -1.1516654860   1.9412984975  -0.5233422970
C    1.1537797854   2.9208896812  -1.6995203438
C   -1.1546865176   3.2036302945  -1.0886194355
C    0.0030022703   3.6903967843  -1.6714936988
C   -0.0464527957  -0.2204100856   0.0708855838
C    2.9033843831   0.3900235009  -0.2075485874
C   -2.9189288367   0.4010449291  -0.1501292177
C    3.1052628852   0.1682592369   2.0067016781
C   -4.3834810381  -1.1210825392   0.5582242032
C    4.4752847740  -1.0147312180   0.5166110879
C   -3.2235244630  -1.3793174363  -1.4626393148
C    4.1245199631  -0.7553602591   1.8355130039
C   -4.1334713144  -1.9066225005  -0.5592697096
C    1.6782019368   1.4084164006   3.4358684429
C   -5.4893425724  -0.8158623668   2.6313683791
C    5.8201322212  -2.1907597288  -1.0413304030
C   -2.0065143398  -1.5618933968  -3.4878612650
H    2.0640757344   3.2989776979  -2.1449116352
H   -2.0561418668   3.8005573914  -1.0614072012
H    0.0095393409   4.6805482171  -2.1051612038
H    4.6121265497  -1.2395334932   2.6681960725
H   -4.6127733820  -2.8614650518  -0.7124156890
H    0.5329059275  -1.9970431273  -0.2118301477
H    0.7599820831   1.0978006135   2.9390066858
H    1.5128907064   1.4421604841   4.5092561566
H    1.9595260237   2.4016159663   3.0864741497
H   -6.1997641430  -1.3965997824   3.2129151887
H   -4.5776735845  -0.6821519992   3.2125273821
H   -5.9212831119   0.1589930115   2.4087359983
H    6.6172306679  -2.9247189671  -0.9628220157
H    4.9888724019  -2.6238916403  -1.5963477296
H    6.1916559973  -1.3151395820  -1.5724371174
H   -2.3564529810  -0.6389118054  -3.9494861897
H   -1.0371719398  -1.3877476223  -3.0224524656
H   -1.9048415712  -2.3264034834  -4.2532206593
*