! 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   -3.8222606780  -0.8282558493  -1.4796484827
O   -1.0943642560  -1.0234123647  -0.5936781623
N   -2.0867071032   1.0554712779  -0.3031390190
N   -2.0762442146   2.0649003277   0.5755568495
N   -2.0034768025   2.8519707019  -1.5214259936
C   -4.5222315897  -0.8863595550   0.8903804693
C   -3.4033388770  -1.0750855189  -0.1580891545
C   -2.0816609435  -0.3319782974   0.1249717735
C   -4.0321757097  -1.3897286960   2.2499926729
C   -4.9917599733   0.5627804065   1.0284074764
C   -5.7126642610  -1.7508909280   0.4614573835
C    0.2242438001  -0.7588270525  -0.3681828297
C   -2.0327018375   1.5421319446  -1.5489886687
C    0.7053901060   0.1070603473   0.6056994568
C    1.1203895230  -1.4397178167  -1.1874854063
C   -2.0368941661   3.1159891573  -0.1997718277
C    2.9902222225  -0.4025788757  -0.0480011083
C    2.0751951177   0.2746754810   0.7531676369
C    2.4809376939  -1.2633556912  -1.0239930884
C    4.4438819742  -0.2211588823   0.1320494914
C    4.9853950183  -0.0148136048   1.4029305556
C    5.3138394962  -0.2543166139  -0.9598214754
C    6.3506348894   0.1550726885   1.5762556499
C    6.6799479335  -0.0887859558  -0.7861281071
C    7.2050114448   0.1174996733   0.4825229144
H   -3.1344997793  -2.1362686168  -0.1224878527
H   -1.8680653344  -0.3253846100   1.1958962638
H   -3.2352309473  -0.7751221009   2.6715474401
H   -4.8520371672  -1.3760081736   2.9695775767
H   -3.6659270259  -2.4170024735   2.1904074288
H   -5.3203155438   0.9996120002   0.0811551329
H   -4.2259520676   1.2130082052   1.4483150444
H   -5.8522838940   0.6063017802   1.6984398521
H   -6.4885177111  -1.7211679292   1.2284683626
H   -5.4251706905  -2.7960125101   0.3251823915
H   -6.1656236073  -1.4047900062  -0.4680605323
H   -4.3539567091  -0.0245683615  -1.5071969063
H   -1.9940890413   0.9296298183  -2.4344228069
H    0.0510943567   0.6692189666   1.2564590642
H    0.7468064118  -2.1189045891  -1.9430832190
H   -2.0254828176   4.1156965582   0.2044266913
H    2.4235043238   0.9712571060   1.5048007414
H    3.1549454074  -1.8245149607  -1.6585739076
H    4.3385748785  -0.0060127333   2.2712474049
H    4.9216254181  -0.3923929354  -1.9596609493
H    6.7477683271   0.3083976748   2.5711733358
H    7.3350578988  -0.1135936107  -1.6470802522
H    8.2706352544   0.2468231784   0.6179442729
*