! 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    3.5246956806   1.2861694899  -0.6472816040
O    0.4169525915   1.6366197630  -0.9087318987
O    2.3774354802   0.7568368201   1.1935566043
N    0.5538183130  -0.5727419711  -0.5633365213
C    1.9861881741  -0.4800407232  -0.8479032622
C   -0.0794088630  -1.8497833476  -0.4740171986
C   -0.3957929333  -2.5194709072  -1.6605655357
C   -0.3498324259  -2.4070143491   0.7783200966
C   -0.1476697962   0.5825234716  -0.6424011577
C   -1.6382110217   0.5450154584  -0.3882428662
C    2.7261266697  -1.7826596242  -0.5689129617
C    2.6112868443   0.6013023676   0.0206304017
C   -0.9891042389  -3.7744890774  -1.5746073934
C   -0.9455053218  -3.6650334985   0.8232921320
C   -2.0940846980   1.7377174398   0.4075514009
C   -0.0944154619  -1.9146950236  -2.9989626278
C   -0.0613700916  -1.6705742670   2.0501851405
C   -1.2603248840  -4.3452667121  -0.3410023138
C   -3.1553499555   2.5225803748  -0.0278041878
C   -1.4859112654   2.0497907192   1.6231716580
C   -3.6082147624   3.5925241027   0.7355434965
C   -1.9326848819   3.1179280455   2.3851713061
C   -2.9988299134   3.8931778335   1.9444007314
C    4.2621915781   2.2745403045   0.0760555609
H    2.1379082255  -0.2106349563  -1.8964632292
H   -1.9469760392  -0.3737321206   0.1108639579
H   -2.1330648905   0.5347029783  -1.3639811569
H    2.3833108304  -2.5854298170  -1.2189920325
H    3.7883310224  -1.6409812741  -0.7672532033
H    2.6148653831  -2.1038551013   0.4659187107
H   -1.2395032299  -4.3080749133  -2.4828882255
H   -1.1617758105  -4.1139221859   1.7848219601
H   -0.4919905262  -0.9035117890  -3.0995751002
H    0.9800925106  -1.8575484740  -3.1869591285
H   -0.5255489853  -2.5151600042  -3.7984373528
H   -0.8461134560  -0.9401909736   2.2654143004
H   -0.0303998773  -2.3571649107   2.8949843170
H    0.8792338298  -1.1255480631   2.0180310604
H   -1.7196368181  -5.3236502125  -0.2872715334
H   -3.6372716132   2.2965802483  -0.9713478437
H   -0.6503858268   1.4592084932   1.9827873581
H   -4.4372922610   4.1911629848   0.3814980611
H   -1.4474675703   3.3465813923   3.3250673897
H   -3.3488009474   4.7261048456   2.5398527630
H    4.8065773955   1.8357596280   0.9117926272
H    3.6080290043   3.0650016819   0.4427372413
H    4.9703826396   2.6955652312  -0.6314493834
*