! 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   -3.5803509840  -1.4496343245  -1.2903035121
O   -1.0250277529  -1.1199460887  -0.3990174360
N   -2.1154794400   0.9408198293  -0.2684069817
N   -2.4742205825   1.1692334598  -1.5385843741
N   -2.1690312457   3.1039731180  -0.4515121719
C   -4.5653077776  -0.6959565979   0.8444601894
C   -3.3243003229  -1.2129285807   0.0731628508
C   -2.0309904275  -0.4027146595   0.2624456321
C   -5.1868188784   0.5714066439   0.2521202596
C   -5.6156538070  -1.8107965828   0.7860054112
C   -4.2032772777  -0.4489189870   2.3102696670
C    0.2892974731  -0.8114358208  -0.2164945652
C   -1.9420053065   2.1050866069   0.3635789175
C    0.7801023518   0.0665262737   0.7412399049
C    1.1757212488  -1.4675537113  -1.0666224509
C   -2.4933870619   2.4751052947  -1.5987342013
C    3.0513590649  -0.3673845456  -0.0019886157
C    2.1488356618   0.2816451048   0.8349929867
C    2.5350309643  -1.2514645814  -0.9527004472
C    4.5044921114  -0.1382909556   0.1128297343
C    5.4043155873  -1.1983135719  -0.0164099795
C    5.0125012443   1.1399289831   0.3528191248
C    6.7708498308  -0.9869830995   0.0915307313
C    6.3794616074   1.3515732462   0.4588370752
C    7.2644217155   0.2892390373   0.3289017202
H   -3.0874349687  -2.1904842386   0.5097548353
H   -1.8207117917  -0.3055051879   1.3298660676
H   -6.1230544185   0.7898483125   0.7694768683
H   -4.5625431740   1.4575832417   0.3668145938
H   -5.4315519025   0.4597322256  -0.8056084628
H   -6.5037131518  -1.5266709472   1.3530773445
H   -5.2379898387  -2.7423297445   1.2132767506
H   -5.9336125372  -2.0179991677  -0.2365626461
H   -3.6828081438  -1.3016522290   2.7530690232
H   -5.1077652929  -0.2817826952   2.8978938759
H   -3.5757579293   0.4343529857   2.4481597759
H   -3.5842418426  -0.6032760227  -1.7602791078
H   -1.6631141561   2.1830491130   1.4030339087
H    0.1384054420   0.5769144539   1.4450482086
H    0.7916539441  -2.1464336248  -1.8175745521
H   -2.7488935044   2.9967929098  -2.5073869715
H    2.5101018653   0.9573307476   1.5998514656
H    3.2029501896  -1.7653660837  -1.6325629454
H    5.0331171319  -2.2022346307  -0.1822789158
H    4.3361941839   1.9818561258   0.4365043553
H    7.4510361461  -1.8234026434  -0.0034125232
H    6.7541440137   2.3513550533   0.6357659342
H    8.3305158009   0.4544904411   0.4118023609
*