! 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   -2.5004619849  -0.0809701630   0.9411057222
O    0.5434939502   2.6431357175  -0.3813410501
O   -1.6663145452   0.5548112110  -1.8264785136
O   -3.3641633458  -1.6948361686  -0.3324507927
N   -0.1246069081  -0.2796051058  -0.4233956101
C   -0.9805017124  -1.4558234895  -0.2532800967
C    1.2441002876  -0.3265393949  -0.0104841077
C    1.6269330854   0.1596358964   1.2391419449
C    2.1715152392  -0.9120224653  -0.8846289095
C   -0.4709551333  -2.4033669648   0.8255956998
C   -0.5744134216   0.6650511398  -1.2810264259
C   -2.4134175139  -1.0735701322   0.0792730738
C    2.9719035990   0.0632097760   1.5971010586
C    3.5022300195  -0.9840180922  -0.4941039396
C    0.6707606253   0.7761894257   2.2129949874
C    1.7485887423  -1.4586521091  -2.2159533041
C    3.9020798725  -0.4973711427   0.7421684669
C    0.3051721627   1.8842527246  -1.5356710970
C   -3.8058639617   0.3412918708   1.3377711592
C   -0.6178136315   3.2746707649   0.1150303697
H   -1.0352336874  -2.0081155631  -1.1957920329
H   -0.3942726747  -1.9217435895   1.7995922935
H   -1.1590562045  -3.2432090104   0.9157184051
H    0.5028647227  -2.8129285085   0.5630610789
H    3.2858772522   0.4355297263   2.5648656040
H    4.2292366581  -1.4305815110  -1.1608018809
H    0.9012673267   1.8319120231   2.3607345914
H   -0.3647852290   0.7047022890   1.8973527151
H    0.7582226454   0.2945863658   3.1878052695
H    2.6052728130  -1.8597168930  -2.7548663294
H    1.0245063604  -2.2694432824  -2.1162289583
H    1.2936400422  -0.7008550158  -2.8569981234
H    4.9407873477  -0.5622797547   1.0388664304
H    1.2768539370   1.5795089442  -1.9307636938
H   -0.1926838021   2.4774489646  -2.3113608433
H   -3.6556111458   1.1570836481   2.0381628737
H   -4.3515771197  -0.4611679785   1.8326091662
H   -4.3803153859   0.7012377850   0.4847681591
H   -0.3172255260   3.9142264948   0.9430791909
H   -1.3613926437   2.5633003135   0.4895861570
H   -1.0972478689   3.8976519284  -0.6482625545
*