! 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   -0.6165115284  -2.6524097020   0.6534500776
O    2.5164501695   2.6620860162   0.3212739773
O    0.5036940257   3.4537682969  -0.2533392159
N   -0.8457357780  -0.4131765177   0.3394714146
N    1.1898872857  -1.3354250510   1.0153035418
N   -1.4594835372   1.6149467752  -0.2219902087
N    0.8456431177   1.2341023550   0.3196317794
C    2.7292504321  -2.9571939006  -0.0745644114
C    2.1257283198  -2.4250587630   1.2186808799
C   -2.2252172677  -0.4575095074   0.0755217515
C    3.5598655775  -1.9278473635  -0.8299913614
C   -2.5953140227   0.8374350412  -0.2779393922
C   -0.3994514750   0.8819260250   0.1478445378
C   -0.0742881642  -1.5620267416   0.6740218696
C   -3.1766427476  -1.4655869912   0.1205341143
C   -3.8919663074   1.1829433993  -0.6042059541
C    4.1674305479  -2.4918004912  -2.1051471427
C   -4.4845098828  -1.1248350445  -0.2055891573
C   -4.8410167955   0.1722795627  -0.5642541160
C    1.2112184293   2.5220130589   0.0976250235
C    3.0702402337   3.9614682758   0.1392539168
H    1.9331043357  -3.3428002945  -0.7184908455
H    3.3588114822  -3.8139681190   0.1828710861
H    2.9150550139  -2.0465330323   1.8683697781
H    1.6293560393  -3.2263029706   1.7645478752
H    2.9439584484  -1.0600761959  -1.0811362230
H    4.3561924774  -1.5582415767  -0.1768010855
H    1.5442827124  -0.3898662413   0.8898812646
H   -2.9353636701  -2.4780828494   0.3948774660
H   -4.1487672354   2.1972092370  -0.8770101008
H    3.3940631787  -2.8409445989  -2.7917317907
H    4.7580751145  -1.7406647511  -2.6308172603
H    4.8244389616  -3.3370427264  -1.8924073436
H   -5.2423641503  -1.8956998180  -0.1782488768
H   -5.8689441991   0.3967485121  -0.8135517192
H    2.6265636171   4.6890839793   0.8191473927
H    4.1289809881   3.8677604575   0.3640738718
H    2.9552422781   4.3104030289  -0.8871271161
H   -1.3890326876   2.6018567216  -0.4256826976
*