! 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    1.2613918998   1.7693873766   1.8389248870
F    0.7881649449  -3.8947289924  -1.8300691841
F   -0.5968047459  -2.2774134730  -1.5110618568
F    0.3005849137  -3.2717705233   0.1703229574
O    1.3014005936   0.6298762969   2.7389493563
O    1.3816276704   3.1018472812   2.3913142853
O    0.0361225350   3.3544177433  -0.3507848344
O   -2.7065793821  -2.0232898411   1.4298057926
N   -0.2213303718   1.6175468571   1.0888729038
N   -1.6439117558   1.8927991328  -0.7314349864
N   -3.2346320863   0.4958911562  -1.5739511763
N   -2.1416877218  -0.0583884599   0.4314179670
N   -3.7658140790  -1.5055797297  -0.4555549050
C    2.4995628033   0.4383946505  -0.2810125746
C    1.4415029755  -0.6346570837  -0.2278395936
C    2.4627137889   1.5753478650   0.5458581095
C    1.6995289035  -1.8460309540  -1.1127211517
C    3.5434226596   0.3737942409  -1.1968891451
C    3.4067899187   2.5888091260   0.4488261335
C    0.5537239584  -2.8195003719  -1.0683879281
C    4.4990113017   1.3760113154  -1.2945135871
C    4.4326347069   2.4884746424  -0.4759521952
C   -0.5644313639   2.3605684739  -0.0083136684
C   -2.3605800589   0.7314953442  -0.6109763956
C   -3.9184682732  -0.6388489771  -1.4481787369
C   -2.8611434813  -1.1692610140   0.4482408899
C   -4.8995952489  -0.9721570926  -2.5106889852
C   -1.7875699629  -1.7228559568   2.4810472310
H    1.3168003201  -0.9657685617   0.8034579993
H    0.4972460829  -0.1877065456  -0.5391854806
H    1.8281010688  -1.5511748661  -2.1552226213
H    2.6050687861  -2.3717074399  -0.8045185118
H    3.6250188837  -0.4747191196  -1.8610258124
H    3.3530122342   3.4580169901   1.0875950247
H    5.2939251220   1.2812851164  -2.0216838067
H    5.1683489155   3.2766573842  -0.5501941386
H   -0.7753964736   0.7737028669   1.2858989279
H   -1.8768497008   2.4583772419  -1.5382105992
H   -5.2830609929  -0.0761377490  -2.9918119245
H   -4.4063709175  -1.5744451405  -3.2772692206
H   -5.7243428993  -1.5593598917  -2.1144208839
H   -2.0577968249  -0.8016986581   2.9955696856
H   -0.7634383903  -1.6572137878   2.1161829317
H   -1.8577751996  -2.5528732193   3.1771062822
*