! 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    0.7675646217   1.3917822705   1.0780770115
O   -3.0047547042  -1.1484279429  -0.4274708034
O    1.2258553781   0.4435900339  -0.9166007151
O   -5.2400667490  -0.9091570465  -0.4197427364
N   -3.9053732527   0.8745709746  -0.0886398280
N    2.5858032815   0.1599006742   0.9044872500
C   -2.7192824340   1.6085102191   0.0184248926
C   -0.4140684067   1.9126113394   0.5751680642
C   -1.5165179924   1.0807497147   0.4809725349
C   -2.7878363296   2.9662141105  -0.3022816511
C   -0.4606677661   3.2540898565   0.2512404668
C   -1.6736913858   3.7756347853  -0.1774468178
C    3.6116259756  -0.6436020434   0.3882668518
C    4.8280762739  -0.6296136234   1.0703585891
C    3.4595590190  -1.4728174563  -0.7215497261
C    1.5134954812   0.6343740422   0.2398311259
C   -4.1199989283  -0.4491068859  -0.3165843294
C    5.8780458821  -1.4286037580   0.6500062494
C    4.5238960468  -2.2615014386  -1.1372482949
C    5.7350516437  -2.2479973123  -0.4616791526
C   -3.1053765355  -2.5766427323  -0.5650829047
C   -3.3945411800  -3.2585332518   0.7508902947
H   -1.4266292375   0.0511217338   0.7909915594
H   -3.7225010239   3.3886728636  -0.6495933288
H    0.4181305984   3.8778547180   0.3425673713
H   -1.7479219076   4.8246950382  -0.4293516906
H   -4.7495253033   1.4267207030  -0.1357226718
H    2.7177571083   0.4930925796   1.8488818092
H    4.9516521272   0.0108358107   1.9353960154
H    2.5261948764  -1.5251247532  -1.2592418246
H    6.8127015852  -1.4043597829   1.1943577117
H    4.3925623229  -2.9016993014  -1.9997171600
H    6.5545166738  -2.8710351821  -0.7934461739
H   -2.1297187502  -2.8748078166  -0.9434881195
H   -3.8487407551  -2.8294398620  -1.3214460480
H   -3.3437899744  -4.3380379934   0.6064586793
H   -4.3870693150  -3.0223104403   1.1321745261
H   -2.6565895130  -2.9911002352   1.5074653165
*