! 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   -2.4485260412  -0.4400795533   1.4950371026
F    0.0558521794   2.9337848817   1.4626846825
F    0.3900928064   4.3651130651  -0.1200545378
F    6.9258530257  -1.4921649331  -1.1219132498
F    5.9355091202  -2.0517794609   0.7152191727
O   -2.7244885182   0.9813701179   1.4079582721
O   -2.7707296426  -1.1649230096   2.7050278146
O   -3.5075877367   1.5768839718  -1.8947263570
O   -1.4854432042   0.8014685487  -1.3390594056
O   -0.7394104226  -2.8193948705   1.2140954894
O    1.8833320277   2.8338476817   0.1826253361
O    5.3177442552  -0.2371495330  -0.4201415697
N   -0.8076325220  -0.5532816872   1.2262887376
N    1.1478320771  -1.7017351915   0.6994228586
N    1.4813850095   0.5898046142   0.4490530586
N    3.2226754450  -0.9682965770   0.1442752233
C   -3.2331043268  -1.2558407057   0.1293553250
C   -3.3779888303  -0.6102867466  -1.1014231733
C   -3.8134889005  -2.4921236297   0.3609612110
C   -4.1212732784  -1.2309630218  -2.0950522184
C   -4.5321906642  -3.1093338009  -0.6524434639
C   -4.6878225595  -2.4790661437  -1.8745221210
C   -2.6799613867   0.6650483066  -1.4336125960
C   -0.1800051467  -1.7546981473   1.0579385520
C    1.9706331967  -0.6395576582   0.4200068625
C    2.3271712329   1.5675784722   0.1701410593
C    4.0368548500   0.0298913712  -0.1256130294
C    3.6568314385   1.3618141050  -0.1312317793
C   -2.9416915560   2.8238601147  -2.3167686783
C    0.5230381477   3.0763422841   0.2084037692
C    5.7342903388  -1.5523465335  -0.5166242827
H   -3.7233129621  -2.9774562439   1.3212871853
H   -0.3046968044   0.2998995573   0.9699639838
H   -4.2452789876  -0.7512803927  -3.0562616123
H   -4.9762687813  -4.0785349637  -0.4750404085
H   -5.2543229634  -2.9537010863  -2.6634659630
H    1.5868688095  -2.6110509500   0.6317841184
H    4.3376749826   2.1666995947  -0.3633839964
H   -2.2130641914   2.6800342881  -3.1129833068
H   -2.4756404157   3.3446479223  -1.4806006872
H   -3.7728724711   3.4150247584  -2.6872616155
H   -0.0454869589   2.4496603203  -0.4775852592
H    5.0574621615  -2.1956552593  -1.0752111790
*