! 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   -0.0277593713  -0.9194921761   0.6498243768
O   -3.7247593466   0.4737619707  -0.1322067521
O   -1.7664331545  -0.6078805989   2.0178346967
O    0.3739763365   0.8643250184  -2.2310071475
N   -0.5109063739   1.6334764393  -0.2754988179
N    1.8060219637   1.3282487376  -0.5459917875
N    3.9342424701   0.8169346897  -0.2909919899
C   -0.5203397017   1.3041862036   1.1559742933
C   -1.3986955027   2.2360896556   1.9798186572
C   -1.8207550833   1.7619040507  -0.9169944616
C   -0.8741997837  -0.1753530803   1.3335990345
C    0.5045593166   1.2326902456  -1.0836511716
C   -1.0548647961   2.1860937185   3.4619022770
C   -2.6249089536   0.5078889530  -0.9261866426
C   -0.2224003144  -2.3409376770   0.5885039495
C    0.8600121451  -2.8952752984  -0.3074623161
C   -2.4880438547  -0.6831775843  -1.5614900035
C    2.2482875103  -2.8057551333   0.3086952280
C    2.3330985554   2.2721850324   0.3115713383
C    2.8248151619   0.4839642675  -0.8771392220
C   -3.5676868330  -1.5039929166  -1.1199621189
C   -4.2812612724  -0.7491546226  -0.2533370226
C    3.6396794522   1.9372189175   0.4484033000
C    3.3752867496  -3.2091603434  -0.5869518117
C    3.2773726019  -3.6472892538  -1.8376003019
H    0.4976453486   1.4028875463   1.5364983445
H   -1.2414488231   3.2547043825   1.6196338593
H   -2.4568020384   2.0121105454   1.8390330290
H   -1.6646533980   2.1226429211  -1.9313536959
H   -2.3721110913   2.5486873441  -0.4033335736
H   -1.6798411747   2.8860063380   4.0158299370
H   -1.2123551445   1.1982423145   3.8923618721
H   -0.0147055470   2.4655966232   3.6369010605
H   -1.2131268882  -2.5509578513   0.1807498785
H   -0.1681326723  -2.7656959321   1.5936386562
H    0.8236943125  -2.3714213911  -1.2677458095
H    0.6130351229  -3.9383405225  -0.5180443294
H   -1.7067343820  -0.9498256017  -2.2541347559
H    2.2842972999  -3.4251301065   1.2119082734
H    2.4473822777  -1.7892541761   0.6622804388
H    1.7667346245   3.1032648613   0.6955542602
H    2.6895966923  -0.3521619646  -1.5454514764
H   -3.7809417993  -2.5192035872  -1.4125117177
H   -5.1745685770  -0.9340095269   0.3210313683
H    4.3886532078   2.4473577408   1.0319574741
H    4.3630702360  -3.1279115269  -0.1429610903
H    4.1600570098  -3.9165035255  -2.4033695175
H    2.3297086432  -3.7575982356  -2.3500883903
*