! 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   -0.7137756261  -2.7377448280   0.4705899205
O    2.5626079869   2.4863276561   0.3164983822
O    0.5655216124   3.3597344198  -0.1891791809
N   -0.8955493287  -0.4792875685   0.3053810485
N    1.0993184572  -1.4723720658   0.9842293228
N   -1.4579496091   1.5876018418  -0.1632551724
N    0.8426469912   1.1177571654   0.3279888805
C    3.3290134013  -2.2536497200   0.3355297290
C    2.0618976069  -2.5500482308   1.1230117869
C   -2.2791240639  -0.4733499061   0.0592982362
C    3.1155638390  -2.1765354026  -1.1702048886
C   -2.6164365923   0.8457361785  -0.2332750957
C   -0.4154172749   0.8101918607   0.1606189817
C   -0.1529382398  -1.6624156751   0.5856604233
C   -3.2600490226  -1.4538779134   0.0780432003
C   -3.9074312735   1.2438356848  -0.5197193928
C    4.3976382147  -1.8520789308  -1.9207847769
C   -4.5622681714  -1.0603651250  -0.2089387732
C   -4.8858468109   0.2613100941  -0.5046616328
C    1.2484793311   2.3962913437   0.1262673640
C    3.1613502744   3.7653542656   0.1337141362
H    4.0536492244  -3.0395295786   0.5650075176
H    3.7712759050  -1.3193632606   0.6977417182
H    2.3056789267  -2.6832943691   2.1790079467
H    1.6115298705  -3.4808980475   0.7811793362
H    2.7088968129  -3.1278766449  -1.5256552419
H    2.3633940491  -1.4179173331  -1.4025427331
H    1.4536241861  -0.5179384716   0.9343072365
H   -3.0467676314  -2.4848579040   0.3025599130
H   -4.1380337198   2.2761920135  -0.7427326053
H    4.2272837240  -1.8008257918  -2.9966387109
H    4.8052559890  -0.8893415373  -1.6068576775
H    5.1659582102  -2.6068562193  -1.7443350317
H   -5.3425926502  -1.8089275560  -0.2012843396
H   -5.9107358823   0.5273381658  -0.7236266075
H    2.7683400164   4.5004871594   0.8361445499
H    4.2218965264   3.6259691564   0.3240141251
H    3.0289660435   4.1323759216  -0.8841394298
H   -1.3579959238   2.5797699208  -0.3278494290
*