! 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    0.6708004555  -1.5085963311   0.7208172438
O   -2.4517753115   0.2357602739  -1.4813295345
O    0.4680922015  -0.4571991552  -1.2387116588
O   -0.7189772564   2.7089918746  -1.9753897039
N   -0.2863628050   1.8359126216   0.0863152842
N    1.4426839432   2.5993497927  -1.3055980658
N    3.3616145391   2.6325597283  -2.3847565737
C    0.5850120322   0.8681134010   0.7546478823
C    0.3248892802   0.7768584591   2.2596430080
C   -1.7225380965   1.6854108250   0.3416752559
C    0.5413328638  -0.4439534857  -0.0324517093
C    0.0570780559   2.3703701739  -1.1096001825
C    1.5434839980   0.3199337728   3.0496014226
C   -2.2750690443   0.3981673384  -0.1485925809
C    0.6991910696  -2.8011190602   0.0910133728
C    1.1354327295  -3.8131605782   1.1238563800
C   -2.5807613889  -0.7545237122   0.4966433573
C    0.1860868505  -3.9766358779   2.3109472792
C    2.3610809554   3.1597352148  -0.4444529484
C    2.1046028992   2.3091042320  -2.4577622583
C   -2.9621571253  -1.6933116709  -0.5078293558
C   -2.8586266270  -1.0359061172  -1.6847951423
C    3.5297138423   3.1742304353  -1.1345334671
C   -1.1459334840  -4.5294938546   1.9176135555
C   -2.3199827156  -3.9800498964   2.2028941721
H    1.6178380462   1.2063363538   0.6446866190
H    0.0559701363   1.7764538459   2.6066885224
H   -0.5259190786   0.1314428949   2.4816157137
H   -2.2424625053   2.5402367395  -0.0871503252
H   -1.8822393003   1.7417790540   1.4167739446
H    2.3917593950   0.9860486478   2.8825596522
H    1.3221067232   0.3359254213   4.1164663700
H    1.8559806533  -0.6908786027   2.7952762116
H    1.3999817553  -2.7901009355  -0.7455136392
H   -0.2977267614  -3.0231757787  -0.2989472224
H    2.1346783118  -3.5551646963   1.4829315302
H    1.2367855283  -4.7703928469   0.6052579404
H   -2.5333070252  -0.9190918262   1.5606211138
H    0.0610520296  -3.0300295929   2.8419166957
H    0.6586599830  -4.6662810137   3.0172449046
H    2.1001069615   3.5302622598   0.5323463096
H    1.6170666848   1.8468856769  -3.3008952707
H   -3.2626550139  -2.7182512688  -0.3672116150
H   -3.0454562941  -1.3249132451  -2.7064512699
H    4.4818488158   3.5541568126  -0.8015038658
H   -1.1257195077  -5.4642166504   1.3617747838
H   -3.2510409626  -4.4445577472   1.9044654842
H   -2.3963093856  -3.0526313080   2.7592845078
*