! 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   -0.2855986428  -1.4452470219  -0.0220176655
O   -3.1625969786  -0.5268045670  -0.2911669754
O   -0.9836289985  -1.4194116959   2.1087341762
O   -0.1724226954   2.7734409665  -1.6415094596
N   -0.4676704611   1.3043439790   0.0576343564
N    1.6554509589   1.6526192489  -0.8939817811
N    3.8191954400   2.0568816412  -0.9088078065
C    0.0707672669   0.5381786430   1.1742145722
C   -0.1277169397   1.2316349790   2.5180224850
C   -1.9161120431   1.5314988195   0.0311210198
C   -0.4753467996  -0.8862824069   1.1557100566
C    0.2663129679   1.9531221721  -0.8617207598
C    0.4321407580   2.6448584402   2.5173215713
C   -2.6298146244   0.5815466539  -0.8615288771
C   -0.6382886792  -2.8227354654  -0.2382625005
C    0.5946275596  -3.6977835231  -0.2968638654
C   -2.8294450904   0.5475345159  -2.2009401516
C    1.4340537992  -3.7421707488   0.9815961783
C    2.2743730923   0.4361020212  -1.0767783387
C    2.6371266121   2.5907486939  -0.8095455927
C   -3.5239947378  -0.6702614381  -2.4736574533
C   -3.6958524290  -1.2792102572  -1.2784699491
C    3.6036001485   0.7143011622  -1.0869811793
C    2.2848165937  -2.5303234905   1.1989202492
C    2.3684739123  -1.8323721230   2.3263498537
H    1.1478085309   0.4320447189   1.0326253989
H   -1.1778808164   1.2419833788   2.8149802317
H    0.3919041620   0.6340803673   3.2692813022
H   -2.1145322820   2.5541052084  -0.2810487205
H   -2.2969084635   1.4473439861   1.0486204086
H   -0.1274712972   3.3112338744   1.8594020173
H    0.3853515214   3.0700337887   3.5192570755
H    1.4784463488   2.6649979667   2.2038162472
H   -1.1596732756  -2.8452984336  -1.1947022669
H   -1.3283157811  -3.1658859842   0.5320354617
H    1.2212727892  -3.4016499954  -1.1431257913
H    0.2365171687  -4.7043765037  -0.5249255933
H   -2.5167901479   1.2964695491  -2.9107618974
H    2.1005120763  -4.6067710134   0.9014476295
H    0.7981450658  -3.9244492612   1.8517542378
H    1.7256834569  -0.4787194802  -1.2155078738
H    2.4218391381   3.6366000133  -0.6572296839
H   -3.8537904160  -1.0376935299  -3.4316526411
H   -4.1688487251  -2.2016608640  -0.9827661236
H    4.4163181937   0.0186903794  -1.2198033259
H    2.9008221891  -2.2300175604   0.3542267458
H    3.0344400114  -0.9830411937   2.4145759032
H    1.7814968216  -2.0835108069   3.2021429731
*