! 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   -2.2838384553  -0.8741454935  -1.0544677285
O   -0.3971899666   3.3044712896  -0.6251928308
O   -1.7049026156   1.3312503265   0.6686272375
O   -3.3133991801  -1.3518861046   0.8647080586
N   -0.0487618030  -0.1595991247   0.3702432956
C   -0.9032172188  -1.2554179681   0.8239060790
C    1.3427447442  -0.4191120031   0.1936315529
C    2.2496111506  -0.0762132819   1.2017338283
C    1.7663363609  -1.0405070524  -0.9909255873
C   -0.9314405971  -1.4130322814   2.3335188388
C   -0.5610568069   1.0884045572   0.3137646535
C   -2.3050009299  -1.1364998506   0.2379414258
C    3.5966035245  -0.3829607400   1.0080415824
C    3.1154957955  -1.3335398977  -1.1399236427
C    1.8628904505   0.6229676534   2.4731282510
C    0.8033682889  -1.3720857051  -2.0896669680
C    4.0268918420  -1.0119994978  -0.1444497317
C    0.3432112476   2.1805577534  -0.2464550039
C   -3.5358192531  -0.6627982119  -1.7047235266
C   -1.0759825199   3.1354189226  -1.8532051120
H   -0.4813147930  -2.1710208000   0.3964033490
H   -1.3486698057  -0.5387287058   2.8313222074
H   -1.5212078390  -2.2836897423   2.6152054771
H    0.0777299679  -1.5766836864   2.7084296081
H    4.3109163950  -0.1216505415   1.7794183313
H    3.4569488327  -1.8108582821  -2.0499116642
H    2.1578967716   0.0308031814   3.3401938160
H    2.3829499927   1.5787897222   2.5535840778
H    0.7988517669   0.8219359665   2.5672085038
H    0.1871899382  -2.2418206837  -1.8452573496
H    0.1219059460  -0.5478059020  -2.3028903979
H    1.3425323217  -1.6089945646  -3.0068092030
H    5.0755610324  -1.2446583943  -0.2753574695
H    1.0457021547   2.4966039287   0.5303893705
H    0.9457468610   1.7928027459  -1.0784089161
H   -4.1509756615  -1.5622399782  -1.6943732707
H   -3.2992215997  -0.4043400243  -2.7327852937
H   -4.0860329362   0.1587641793  -1.2463603380
H   -1.5969327779   4.0666324351  -2.0723617547
H   -1.8183663214   2.3309800468  -1.8237271807
H   -0.3793678963   2.9294219026  -2.6731882239
*