! 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    1.0621056264   1.7775147124  -1.2237787297
F    1.9894515987  -3.8815467961  -0.2938122916
F    2.6100746750  -3.7523920655  -2.3508273396
F    0.7473622508  -2.8713373951  -1.7290602445
O    0.9547750056   3.1779616561  -1.5823881975
O    1.0701485633   0.7879598914  -2.2867713021
O    0.0384702930   2.9215020468   1.3158229693
O   -5.6758196737  -0.6831425789   2.0660488644
N   -0.2449785575   1.3409746328  -0.2912438333
N   -1.7892321036   1.5956390418   1.4215795377
N   -2.3976179897  -0.1103821876  -0.0374924605
N   -3.7397284368   0.4832472839   1.7981365515
N   -4.4075268317  -1.2501649672   0.3382450663
C    2.8416219491   0.3027099244   0.3099942551
C    2.1011253319  -0.9862223575   0.0679354203
C    2.4720199789   1.5615828377  -0.1764579533
C    2.7423296931  -1.7766037804  -1.0739305339
C    4.0079159862   0.2419095515   1.0683835019
C    3.2218327784   2.7023231507   0.0899062288
C    2.0249774021  -3.0654843288  -1.3593368790
C    4.7741710795   1.3666780022   1.3264257124
C    4.3803595551   2.6030268930   0.8387076053
C   -0.6120040358   2.0190737552   0.8366291531
C   -2.6646613524   0.6168120625   1.0340048764
C   -3.3043613220  -1.0410402638  -0.3488868829
C   -4.5706964335  -0.4588274719   1.3987180532
C   -3.0240247308  -1.8701464805  -1.5474001792
C   -5.9615825302   0.0956615762   3.2288870908
H    2.1473996353  -1.5688169542   0.9889556659
H    1.0442413569  -0.8230111839  -0.1281233204
H    2.7572059653  -1.1849163004  -1.9895068450
H    3.7792150597  -2.0154603935  -0.8292985339
H    4.3188392434  -0.7161485025   1.4665153685
H    2.9121104957   3.6666664895  -0.2847855750
H    5.6773372687   1.2760447046   1.9143921685
H    4.9662141333   3.4887073044   1.0403897428
H   -0.8779532254   0.5956449248  -0.6278013697
H   -2.0476152712   2.1058196377   2.2568504169
H   -3.7928113601  -2.6207019164  -1.7033500949
H   -2.9632177571  -1.2356156979  -2.4324584451
H   -2.0584006073  -2.3656427698  -1.4431570023
H   -6.0470905982   1.1543446404   2.9889504870
H   -5.2032295428  -0.0451652469   3.9975606949
H   -6.9167496265  -0.2687144628   3.5948408334
*