! 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   -0.6979119498  -2.7645056511  -0.4590589050
O    2.6171385277   2.3682017455   0.1279688017
O    0.6048605543   3.2862467864   0.4789528854
N   -0.8822827524  -0.5028038783  -0.3070431969
N    1.1641931210  -1.5078794414  -0.7832499559
N   -1.4630673861   1.5552492707   0.1750515494
N    0.8697881986   1.0593658969  -0.1010558446
C    2.7536621600  -2.9033921219   0.5147883176
C    2.1090147264  -2.6057884291  -0.8330807664
C   -2.2825545616  -0.4827309393  -0.2069490491
C    3.4474400660  -1.7096745860   1.1669304465
C   -2.6328591495   0.8304134408   0.0955891287
C   -0.4021173881   0.7718591529  -0.0695467673
C   -0.1234362264  -1.6918880968  -0.5126422922
C   -3.2631879938  -1.4485111037  -0.3739360195
C   -3.9442915129   1.2338863088   0.2550732134
C    4.4935432201  -1.0365353448   0.2896506570
C   -4.5852541281  -1.0489595809  -0.2158752368
C   -4.9244600707   0.2650467983   0.0958540618
C    1.2886108694   2.3151856209   0.1925840379
C    3.2314396180   3.6209836749   0.4107450992
H    3.4779409125  -3.7082508832   0.3592727528
H    1.9950009147  -3.2978552728   1.1962728801
H    1.6093153494  -3.4941295775  -1.2146689638
H    2.8691776204  -2.3450792640  -1.5695722892
H    2.7053327013  -0.9691546179   1.4762095112
H    3.9199622807  -2.0545665675   2.0894526993
H    1.5202635979  -0.5601981978  -0.6602761581
H   -3.0306825529  -2.4711675731  -0.6179075814
H   -4.1910990056   2.2599635495   0.4903044493
H    5.2355811806  -1.7529496149  -0.0688988013
H    4.0549377623  -0.5533565599  -0.5852986178
H    5.0249587127  -0.2614871464   0.8426892009
H   -5.3680867617  -1.7845489288  -0.3407501421
H   -5.9646126383   0.5366131060   0.2125248427
H    3.0200204532   3.9558288134   1.4265073710
H    4.3009652687   3.4581008426   0.3087356952
H    2.9225507359   4.3930984234  -0.2943149929
H   -1.3730779559   2.5403116049   0.3808803705
*