! 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   -2.5206084627  -0.5044967880   1.1425825945
O   -0.3416099343   3.1822957677  -1.2187012103
O   -1.7179152621   0.9598951290  -1.2618442457
O   -3.3739294706  -1.6404262677  -0.5780880988
N   -0.1399390001  -0.2800130767  -0.2492805911
C   -0.9883907182  -1.4634002874  -0.3905960958
C    1.2280713568  -0.4170247448   0.1383822717
C    1.6148303950  -0.1627876240   1.4548545639
C    2.1537365908  -0.8249635417  -0.8330400760
C   -0.4805730846  -2.6369848202   0.4382065898
C   -0.6052928332   0.8802250452  -0.7653499909
C   -2.4266130055  -1.1839276250   0.0164616309
C    2.9603757897  -0.3197425977   1.7868320176
C    3.4840271862  -0.9698173558  -0.4629555519
C    0.6558650131   0.2878602857   2.5149371046
C    1.7276266729  -1.1124438950  -2.2415334069
C    3.8860861812  -0.7194117927   0.8413760863
C    0.3206472827   2.0765198686  -0.6785758412
C   -3.8318598522  -0.2119258317   1.6282042303
C    0.4608100528   4.3415102963  -1.1786979470
H   -1.0291948061  -1.7678190157  -1.4400887062
H    0.4999582835  -2.9672454837   0.1008717887
H   -0.4171268446  -2.3937401747   1.4981312722
H   -1.1611870024  -3.4794929508   0.3216598020
H    3.2781513169  -0.1254321914   2.8039894669
H    4.2110033926  -1.2809137729  -1.2025963565
H    0.7451511376  -0.3394102422   3.4024903926
H    0.8804262626   1.3095543165   2.8269136773
H   -0.3800230726   0.2605556631   2.1917061728
H    2.5945478394  -1.2080971375  -2.8933377889
H    1.1713939323  -2.0504835117  -2.3101295438
H    1.0905880294  -0.3307370044  -2.6582453288
H    4.9258376575  -0.8358545667   1.1176336093
H    0.6023949318   2.2479802368   0.3702319735
H    1.2551560471   1.8624531612  -1.2174019606
H   -3.6906854944   0.3636122185   2.5375935767
H   -4.3836846635  -1.1220614184   1.8596130158
H   -4.3946238583   0.3834514457   0.9101725729
H   -0.1146382907   5.1585812754  -1.6109251702
H    1.3831613376   4.2223101857  -1.7577196880
H    0.7361933277   4.6155107795  -0.1541962795
*