! 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    0.5016573765  -0.7309951904   0.7937181866
O   -3.3602301733   0.1076996961   0.1470854556
O   -1.1582102842  -0.4601852563   2.2647912656
O    0.5880251331   0.8936814987  -2.3171074306
N   -0.3655739177   1.6239418435  -0.3805445116
N    1.9617116255   1.6429416194  -0.6806615619
N    4.1097017757   1.3584491475  -0.2836021513
C   -0.2756827606   1.4673464592   1.0744118101
C   -1.2516156397   2.3627758273   1.8293674039
C   -1.7042779326   1.5012717587  -0.9623318264
C   -0.3951983128  -0.0134970597   1.4464397179
C    0.6788249646   1.3379541698  -1.1925753190
C   -0.8377162901   2.5794248801   3.2777966774
C   -2.3377810297   0.1716859789  -0.7430476627
C    0.5431838945  -2.1484936425   1.0389656927
C    1.6389876915  -2.7462877823   0.1841101487
C   -2.0811111108  -1.0685770885  -1.2270208751
C    1.3944244331  -2.7110358886  -1.3191785200
C    2.3697232244   2.7377636113   0.0518747475
C    3.0579951094   0.8530173294  -0.8538763367
C   -2.9948836970  -1.9530630260  -0.5833251222
C   -3.7434310991  -1.1824328173   0.2389768531
C    3.6928148410   2.5410160412   0.2768623848
C    0.3396434325  -3.6280924289  -1.8570000022
C   -0.3306365855  -4.5688523922  -1.2013663535
H    0.7281300017   1.7556005627   1.3907631803
H   -1.2743433939   3.3313949716   1.3258937372
H   -2.2663267000   1.9659612485   1.7925467850
H   -1.6323849928   1.7174023327  -2.0250844097
H   -2.3311715813   2.2839279586  -0.5373292134
H    0.1560189394   3.0252625726   3.3439253562
H   -1.5342722468   3.2592388883   3.7675592421
H   -0.8283114664   1.6532009009   3.8501497087
H   -0.4330619904  -2.5794361335   0.8122613572
H    0.7572838027  -2.3210731698   2.0952323129
H    1.7799076618  -3.7781354248   0.5155740031
H    2.5792070932  -2.2362536959   0.4092178838
H   -1.3259091756  -1.3267134702  -1.9508001631
H    2.3323896916  -2.9477178351  -1.8323908698
H    1.1572061200  -1.6940904315  -1.6449471807
H    1.7169875253   3.5581283165   0.2976629383
H    3.0214293763  -0.0770258375  -1.3980574298
H   -3.0756033756  -3.0193712231  -0.7173281326
H   -4.5559897364  -1.3990603685   0.9134121503
H    4.3710246287   3.1913095529   0.8050057902
H    0.1289427073  -3.4938250984  -2.9144005368
H   -1.0626242158  -5.1829528093  -1.7100892791
H   -0.1867403775  -4.7760232854  -0.1480455005
*