! 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   -3.5834675471  -1.3031966551  -1.3810484644
O   -1.0460139680  -1.0841891057  -0.4389395101
N   -2.0960005836   0.9885774047  -0.2566768913
N   -2.0727174834   2.0299571990   0.5834096529
N   -2.2780198637   2.7339058311  -1.5345174170
C   -4.6148429232  -0.6505401637   0.6890132337
C   -3.3384589807  -1.1716235870  -0.0022377293
C   -2.0480952639  -0.3711347152   0.2378499566
C   -4.3371831591  -0.3994894790   2.1720414934
C   -5.1887470637   0.6189933608   0.0535693107
C   -5.6676606512  -1.7601330822   0.5758510973
C    0.2714503506  -0.8053419822  -0.2350259176
C   -2.2207817080   1.4244447661  -1.5141616918
C    0.7582039136   0.1078092317   0.6910544520
C    1.1607596838  -1.5231637737  -1.0298093364
C   -2.1911057290   3.0492236252  -0.2266956475
C    3.0374730280  -0.4127024143   0.0242815496
C    2.1294680296   0.2923344264   0.8096979806
C    2.5215093329  -1.3280277167  -0.8969828219
C    4.4922210956  -0.1979473193   0.1512544837
C    5.0746203500   0.0700019450   1.3919133499
C    5.3222014624  -0.2555225368  -0.9705909063
C    6.4413916897   0.2766557678   1.5062407362
C    6.6892133983  -0.0517372049  -0.8560370946
C    7.2554239217   0.2165048912   0.3829382995
H   -3.1272293377  -2.1522936618   0.4490132109
H   -1.8453479084  -0.3058397918   1.3088842923
H   -3.8861331050  -1.2693851684   2.6554934685
H   -3.6803397491   0.4557860600   2.3378908611
H   -5.2711797172  -0.1866292814   2.6951182011
H   -4.5693266436   1.5002822392   0.2155019625
H   -6.1583298351   0.8378846342   0.5054198326
H   -5.3524918553   0.5084159198  -1.0184269376
H   -5.9381510529  -1.9648342838  -0.4600585927
H   -6.5797547699  -1.4708271394   1.1001896421
H   -5.3165105979  -2.6939222783   1.0201408782
H   -2.9271917189  -1.9006138866  -1.7568990603
H   -2.2489648772   0.7776556985  -2.3745139322
H    0.1047375650   0.6955133628   1.3202897885
H    0.7811789049  -2.2429160786  -1.7437922556
H   -2.2067056478   4.0633544825   0.1398218708
H    2.4846359466   1.0264499733   1.5215111121
H    3.1911126582  -1.9144590081  -1.5130544027
H    4.4593564218   0.0991690223   2.2825830715
H    4.8961487144  -0.4419085910  -1.9484923983
H    6.8720141387   0.4786643069   2.4782753490
H    7.3120709702  -0.0951636261  -1.7399721308
H    8.3217001739   0.3770092992   0.4720989126
*