! 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    1.0124363420   1.6905187145  -0.5822703708
O   -4.8021824750  -1.3506119315   0.3305917248
O    1.4049702813   0.2937977384   1.1492083785
O   -2.6925416391  -1.4555184190  -0.4532215786
N   -3.5800513822   0.4739332620   0.4012237761
N    2.8823808254   0.5340623027  -0.5869068656
C   -2.5159944770   1.3707338967   0.3194337110
C   -0.2510436046   2.0036356167  -0.1121579515
C   -1.2323749297   1.0247916860  -0.0954173272
C   -2.7819184890   2.6919175496   0.6913306245
C   -0.4938061486   3.3116291823   0.2570768464
C   -1.7825229351   3.6450000723   0.6531936165
C    3.9044670752  -0.3688047707  -0.2719573313
C    3.8373789487  -1.3083699483   0.7557348096
C    5.0426213942  -0.3214468436  -1.0791223795
C    1.7468844367   0.7780899407   0.0977042270
C   -3.6083691663  -0.8350506459   0.0432643393
C    4.9000372443  -2.1800384166   0.9555926967
C    6.0921361655  -1.1985203763  -0.8687563469
C    6.0293513932  -2.1370434759   0.1527957265
C   -5.0509181541  -2.7174447311  -0.0352500159
C   -5.4250738514  -2.8579868040  -1.4915760106
H   -0.9941367335   0.0215321397  -0.4092321980
H   -3.7791123907   2.9709571171   1.0085580715
H    0.2940680902   4.0517861330   0.2270517282
H   -2.0084045537   4.6623685506   0.9418854042
H   -4.4376920831   0.8511853182   0.7781841158
H    3.0171645644   1.0677201336  -1.4341276246
H    2.9742102565  -1.3798103167   1.3968740536
H    5.1027531471   0.4046100059  -1.8813121955
H    4.8325011771  -2.9057184584   1.7555123183
H    6.9623806343  -1.1446360640  -1.5092354694
H    6.8484343723  -2.8234080855   0.3191630664
H   -5.8782543257  -3.0209419939   0.6033590129
H   -4.1912885167  -3.3384516495   0.2180348491
H   -6.2936751411  -2.2478353795  -1.7393544703
H   -5.6826626398  -3.8984192054  -1.6915530572
H   -4.6066740213  -2.5863224248  -2.1573961675
*