! 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    2.9847110852   2.3502338085   0.8601019085
O    1.0550252460   0.5466268756   0.9929468874
N    2.1808974239  -1.0737088964  -0.2249466679
N    2.1228992108  -1.5910164772  -1.4566080247
N    2.4941956408  -3.2024667580   0.0581609306
C    4.5932409877   0.9002872707  -0.2996610623
C    3.3170779712   1.0108057613   0.5736801688
C    2.0405485735   0.3463665825   0.0174044900
C    5.1636293267  -0.5224788244  -0.3005492472
C    4.3404336943   1.3445683965  -1.7421755882
C    5.6557757314   1.8139575719   0.3260092215
C   -0.2637677056   0.4218947232   0.6807097604
C    2.4036841688  -2.0449350135   0.6652136098
C   -0.7591069009   0.0676500189  -0.5678509510
C   -1.1486550373   0.6813892059   1.7241914337
C    2.3214384994  -2.8646787501  -1.2358611882
C   -3.0348164179   0.2370066190   0.2712264868
C   -2.1320042223  -0.0185686223  -0.7573089266
C   -2.5110795295   0.5901922344   1.5178037803
C   -4.4912620033   0.1317796221   0.0563455844
C   -5.3318134123  -0.3354815429   1.0691663578
C   -5.0648674809   0.4929468060  -1.1647676051
C   -6.7001058040  -0.4388060149   0.8677624119
C   -6.4326115401   0.3858020929  -1.3677609342
C   -7.2570974718  -0.0803851147  -0.3524558120
H    3.5392471697   0.5451644113   1.5411747955
H    1.7644602610   0.7992809922  -0.9395914369
H    5.2360183290  -0.9336149045   0.7085628673
H    4.5969069207  -1.2183693514  -0.9166068408
H    6.1735774214  -0.5058716237  -0.7139973322
H    3.6646682642   0.6722268854  -2.2731039621
H    5.2793235646   1.3556779729  -2.2983158725
H    3.9280829816   2.3548782578  -1.8092943709
H    5.4067270851   2.8717224429   0.2459954325
H    6.6097219543   1.6686543639  -0.1826473852
H    5.8117817526   1.5856552491   1.3828158729
H    2.9637583765   2.8540077123   0.0380547883
H    2.4837200429  -1.8764442036   1.7274742765
H   -0.1115919773  -0.1592325590  -1.4032033873
H   -0.7625131085   0.9671844484   2.6943025673
H    2.3357172470  -3.5821495380  -2.0408471845
H   -2.4933206600  -0.3179631069  -1.7328212841
H   -3.1755618385   0.8179454413   2.3415872931
H   -4.9137532539  -0.6418322984   2.0198717464
H   -4.4415286126   0.8801912765  -1.9609994665
H   -7.3313545457  -0.8091944548   1.6648760382
H   -6.8559396081   0.6758215704  -2.3205251119
H   -8.3241981195  -0.1634192512  -0.5107604494
*