! 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    1.9531924785   1.5163684902   0.5211838034
O   -0.5849354191   2.8247923280   0.6272638757
N    1.8280574905  -0.6653297686  -0.1420964066
N   -0.0763076657   0.5832212292   0.0998436116
N   -2.1291301451   1.1878143954   0.0781839887
N   -0.8118554346  -0.5185495638  -0.2588145775
N   -3.2963844612   1.9121964545   0.1305239344
C    3.2541600398  -1.0221662254  -0.1434868665
C   -3.2180350233  -0.9874082848  -0.5647455384
C   -2.0384623996  -0.1331578805  -0.2628481445
C    3.3140289909  -2.4803878233  -0.5878515582
C    4.0322425535  -0.1615034005  -1.1367466054
C    3.8493278883  -0.8970297577   1.2575648413
C    1.3308379076   0.5268297664   0.1821206424
C   -0.8678247997   1.6872618969   0.3138548334
C   -2.8125286714  -2.2533797805  -1.3061821070
C   -3.9708356965  -1.3156071526   0.7265628111
H   -3.8817927865  -0.4005251112  -1.2051580056
H    1.1692737524  -1.3850531562  -0.4012005730
H    2.7694893341  -3.1310734398   0.0989883984
H    2.8948621800  -2.6121766502  -1.5871895129
H    4.3488373151  -2.8199851271  -0.6161560017
H    3.6107048135  -0.2402266297  -2.1397872385
H    5.0681972183  -0.4999448067  -1.1849495233
H    4.0429090647   0.8888887691  -0.8512263683
H    3.2925741839  -1.5000452752   1.9761327332
H    4.8801801543  -1.2536454207   1.2538996773
H    3.8596849429   0.1330666625   1.6098130465
H   -2.1701867737  -2.8903013320  -0.6978567243
H   -2.2875304564  -2.0308204624  -2.2346385170
H   -3.7038021199  -2.8273180871  -1.5583955364
H   -4.3068618156  -0.4181855598   1.2445925870
H   -3.3430854618  -1.8898069165   1.4093147161
H   -4.8526679344  -1.9140055325   0.4975311737
H   -3.3975451519   2.3160294483   1.0534878802
H   -3.2524340410   2.6647853318  -0.5460172769
*