! 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
S   -2.5174934360  -0.3447618948   1.5239890186
F    0.0915339643   2.9931675043   1.7030834387
F    0.3364666954   4.3958003878   0.0782968933
F    6.6522283113  -1.5389151530  -1.4820593450
F    5.8624901751  -2.1150841122   0.4446161727
O   -2.7642612611   1.0740215150   1.3459774916
O   -2.9548026883  -0.9974539395   2.7391498498
O   -3.2021225545   1.4509548806  -2.1182988166
O   -1.2731604265   0.6972485565  -1.2761257629
O   -0.8181355758  -2.7555842801   1.4350922264
O    1.8356104270   2.8575257585   0.3133756537
O    5.1626871283  -0.2645710273  -0.5789671673
N   -0.8626979578  -0.4888682582   1.3958391677
N    1.0768335306  -1.6666353772   0.8825954578
N    1.4306774698   0.6206509276   0.6175547690
N    3.1135924835  -0.9634991659   0.1653259578
C   -3.1969125976  -1.2275079341   0.1409126361
C   -3.2136248640  -0.6624254219  -1.1372206826
C   -3.8248092968  -2.4353297791   0.3968568488
C   -3.8787488943  -1.3352399931  -2.1523188316
C   -4.4624100092  -3.1065229749  -0.6363049846
C   -4.4916734116  -2.5560342628  -1.9052855702
C   -2.4530143851   0.5695142522  -1.4928492979
C   -0.2487045749  -1.7006356854   1.2526623016
C    1.8926474517  -0.6169983215   0.5405679156
C    2.2621477338   1.5858299835   0.2638141846
C    3.9162699126   0.0224998119  -0.1748249080
C    3.5569789788   1.3602186615  -0.1519158257
C   -2.5597978374   2.6391917605  -2.5956516545
C    0.4811272637   3.1127312771   0.4199673314
C    5.5352642721  -1.5852818461  -0.7473865307
H   -3.8317402932  -2.8564443433   1.3911030849
H   -0.3333339721   0.3494986911   1.1407490774
H   -3.9026812114  -0.9196399924  -3.1503143984
H   -4.9417552150  -4.0547572693  -0.4387597299
H   -4.9939756116  -3.0719507320  -2.7116193610
H    1.5058953524  -2.5804471230   0.8109207652
H    4.2258262727   2.1542719091  -0.4474869405
H   -3.3361348589   3.2192888240  -3.0835548627
H   -1.7755716182   2.4027098318  -3.3131847071
H   -2.1424224833   3.2193060883  -1.7730965585
H   -0.1327460714   2.4785694551  -0.2188891793
H    4.7843744400  -2.2019695732  -1.2369424546
*