! 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   -4.8112562632  -0.1765448165   1.2557377135
O   -1.2480023071   0.1681801295   1.1994646856
O   -1.2974134329  -0.2386890418  -1.4460844720
O   -1.7888372475   1.9284229136  -1.1581042742
O   -0.1443950478  -1.7839260313   1.2799045881
O   -5.6015540773   1.6976133757   2.1913864762
O    3.1693574602   1.0359486330   0.9317504555
O    5.8589666863   0.6035990908   1.1822755292
O    7.8009224651  -1.2052541008   1.0577199685
O    5.7375854924   1.7528082086  -0.8405147770
O    6.7374688388   0.1520219523  -2.0492773449
N    1.9877646196  -0.6128300299  -0.0706508709
N    4.0166813448  -2.2263935712  -0.1466538821
C   -3.4648514945   0.2689875185  -0.6611074567
C   -3.5710001801   0.4035656040   0.8720321774
C   -2.5009738289  -0.3649132409   1.6609087960
C   -4.5540747757   1.0761064797  -1.3896511051
C   -2.1081915797   0.7690659524  -1.1083588850
C   -2.6099468118  -0.1732053277   3.1578081246
C   -5.9456999728   0.5029611923  -1.3142290660
C    0.7148186478   0.0355953835  -0.0605332710
C    0.1074773940  -0.0102921508  -1.4892489703
C   -0.2463252495  -0.6509294234   0.8968058628
C   -5.7383747853   0.5355941737   1.9028319928
C   -6.9358190668  -0.3182197943   2.2347069627
C   -6.2054511932  -0.8188039335  -1.6731863767
C   -7.0160664803   1.3066303497  -0.9326395893
C   -7.4963857495  -1.3241913936  -1.6408527340
C   -8.3127131804   0.8064581200  -0.9067395049
C   -8.0867134779   0.5232017810   2.7586525469
C   -6.5390926418  -1.4065983637   3.2374510639
C   -8.5574975567  -0.5127200544  -1.2565040810
C    3.1139358997  -0.0757317160   0.4308203694
C    4.2949330672  -1.0052276573   0.3213897356
C    5.5724082364  -0.6386478624   0.7101592419
C    6.6017842905  -1.5980694977   0.6397249202
C    4.9880548189  -3.1110270133  -0.2318475429
C    6.2951653952  -2.8586638283   0.1559606882
C    6.5215601969   1.4759328259   0.3012358031
C    5.0859598955   1.5577493774  -3.1008257681
C    5.9500636334   1.0608543638  -1.9713837088
C    3.6060329738   1.3023730427  -2.8137455793
C    5.3556674000   3.0329383992  -3.3900178360
C    8.8770619904  -2.1309378259   0.9886505886
H   -3.5462467145  -0.7891969071  -0.9219906610
H   -3.5351095122   1.4621083787   1.1450234577
H   -2.5602785885  -1.4276809913   1.4105239372
H   -4.2749324339   1.1386841224  -2.4452846990
H   -4.5595418265   2.1021801828  -1.0167342193
H   -1.7800719734  -0.6675020235   3.6620391979
H   -3.5243512612  -0.6209711800   3.5439864327
H   -2.6004364761   0.8830567721   3.4282532986
H    0.8461055191   1.0707063901   0.2551668808
H    0.3596892146   0.8931644087  -2.0439070360
H    0.5097390243  -0.8686849213  -2.0223047490
H   -7.2446608280  -0.8091495872   1.3062086591
H   -5.3947891505  -1.4657126024  -1.9873982551
H   -6.8375305770   2.3384935430  -0.6547123279
H    2.0499916813  -1.5644972957  -0.4090852493
H   -7.6758178242  -2.3540292743  -1.9217977551
H   -9.1297129552   1.4498646259  -0.6069128984
H   -8.9608444241  -0.1090024966   2.9141423772
H   -8.3720655620   1.3090878328   2.0596797390
H   -7.8433815877   0.9899019077   3.7138578314
H   -5.7740635087  -2.0749868137   2.8447967977
H   -7.4114766822  -2.0137906470   3.4783566848
H   -6.1725589383  -0.9728989767   4.1695717926
H   -9.5648185828  -0.9072639836  -1.2322821269
H    4.7267371076  -4.0864018076  -0.6226504540
H    7.0339369896  -3.6425441105   0.0723274571
H    6.6226105783   2.4140018445   0.8388131937
H    7.5054667536   1.1046354566   0.0143826723
H    5.3743685004   0.9713193267  -3.9747762181
H    3.4102879197   0.2477433601  -2.6163469418
H    3.0143074717   1.5842295646  -3.6845973137
H    3.2499027570   1.8869483959  -1.9655773664
H    5.0170087300   3.6764625113  -2.5784648100
H    4.8215160623   3.3294701827  -4.2924554365
H    6.4157844273   3.2252327894  -3.5582074725
H    8.6925705118  -3.0075142454   1.6122604495
H    9.0673052177  -2.4485294355  -0.0381023654
H    9.7518277370  -1.6081277483   1.3643624172
*