! 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   -0.8002783902  -2.7244724877  -0.6057605466
O    2.5750372410   2.3546901421   0.1998872743
O    0.5661159937   3.2735019871   0.5625677519
N   -0.9471136450  -0.4698893540  -0.3641372101
N    1.0891050194  -1.4898828528  -0.8570243255
N   -1.5060793598   1.5764987366   0.1873152887
N    0.8214438292   1.0660637179  -0.0936499819
C    2.9364207156  -2.7092170652   0.2453066589
C    2.0205910316  -2.5960094117  -0.9653304149
C   -2.3478583748  -0.4362885490  -0.2696894839
C    3.8705074767  -1.5178348797   0.4246011939
C   -2.6837479678   0.8692596369   0.0782999983
C   -0.4534385437   0.7895283920  -0.0794918322
C   -0.2047695506  -1.6620131560  -0.6098032993
C   -3.3405166853  -1.3827863467  -0.4726837741
C   -3.9901938303   1.2835840115   0.2492523693
C    4.7834600562  -1.6702339081   1.6314110839
C   -4.6579511601  -0.9724404506  -0.3034626749
C   -4.9820908250   0.3336538388   0.0537996791
C    1.2452929520   2.3083336631   0.2484978834
C    3.1938943570   3.5918414767   0.5376343194
H    3.5333229976  -3.6176979278   0.1249534185
H    2.3310766652  -2.8524070017   1.1456650255
H    1.4602692561  -3.5174070442  -1.1036943139
H    2.6174700051  -2.4539082965  -1.8684112290
H    4.4742786953  -1.3976189127  -0.4799871931
H    3.2955281907  -0.5931061961   0.5316131978
H    1.4574588671  -0.5492944729  -0.7262739143
H   -3.1211423100  -2.3994103352  -0.7512232771
H   -4.2236595827   2.3039836691   0.5204328787
H    5.4516146247  -0.8146372167   1.7356241403
H    4.2076816931  -1.7516711623   2.5551557577
H    5.4036664917  -2.5647433501   1.5503037868
H   -5.4492874056  -1.6936606574  -0.4555201888
H   -6.0191010535   0.6136268976   0.1781580467
H    2.8922818092   4.3937968243  -0.1363833518
H    2.9778551956   3.8848613820   1.5653019315
H    4.2630836818   3.4282003194   0.4350143867
H   -1.4045888671   2.5519467935   0.4297794451
*