! 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    2.2591739449   0.7896419740  -1.2857979789
O   -2.2697996212   1.4391394714   0.2923772612
O    0.5988977073  -1.2504420828  -0.5407612753
O    2.9652094355   0.5814703837   3.2220216999
O   -5.5492666021  -1.4901779802   1.2885417770
O    5.6688320837  -1.7361527495   0.2425595918
O   -3.0877553053  -1.9887731137  -2.6164319489
O   -0.5611568269  -0.5599324850   1.2333543298
N    2.5909183876   0.7449895625   0.9715533314
N   -3.8946158678   0.0084253950   0.7886353932
N    3.9484319302  -0.4508596769  -0.5478797092
N   -2.6497031883  -0.2431134429  -1.2037950617
C   -0.0114789927   1.0097412470  -0.4642181520
C    1.1107026449   1.5252910453  -1.1157463924
C   -1.1437925771   1.8241481932  -0.3931169184
C    1.1087855619   2.7924756454  -1.6695303845
C   -1.1695133510   3.0837262882  -0.9622664164
C   -0.0369803026   3.5661777246  -1.5962284949
C   -0.0239850627  -0.3314835650   0.1769520052
C    2.9540627633   0.3438433903  -0.2222639904
C   -2.9573560156   0.3397958314  -0.0701226132
C    3.2942771795   0.2489349808   1.9845828146
C   -4.5951007191  -1.0734276866   0.4715697487
C    4.6514866640  -0.9227528223   0.4746312800
C   -3.3558395867  -1.3292879136  -1.5006636528
C    4.3657403045  -0.6099242160   1.7978787156
C   -4.3692838817  -1.8081014370  -0.6853238994
C    1.8496535860   1.4483207664   3.4280695606
C   -5.7894712853  -0.7683996958   2.4945863484
C    5.9733102162  -2.0981524022  -1.1027132347
C   -2.0203548120  -1.5318194542  -3.4453464928
H    1.9998021749   3.1645039889  -2.1566662270
H   -2.0690106611   3.6808815010  -0.9003424981
H   -0.0468727545   4.5539575988  -2.0351663249
H    4.9340740987  -1.0147377482   2.6222344769
H   -4.9372158117  -2.6944320127  -0.9276685525
H    0.5764911960  -2.1033506751  -0.0777287597
H    0.9351296908   1.0365840733   3.0029460815
H    1.7402795397   1.5311212516   4.5057235184
H    2.0278481855   2.4380188994   3.0088381038
H   -6.5949793998  -1.2974057484   2.9962569303
H   -4.9119836228  -0.7581062543   3.1403965013
H   -6.1030590782   0.2558389580   2.2962006628
H    5.1435657296  -2.6212526526  -1.5770454483
H    6.2434351341  -1.2303576702  -1.7033870134
H    6.8268116757  -2.7672856160  -1.0385236639
H   -2.2258789350  -0.5445254454  -3.8580376069
H   -1.0739994963  -1.5055803999  -2.9059429475
H   -1.9520901957  -2.2507704961  -4.2569443843
*