! 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    0.8018680158   0.1506191408   1.2036405077
F    3.3774445396  -3.7210825350   0.2812658060
F    5.3328858994  -3.3320995942   1.0895520519
F    5.0122525796  -3.2687480773  -1.0381235908
O    1.1476164812  -1.2534689365   1.2697587358
O    0.6534883049   0.8874926859   2.4461978669
O   -0.1555402257  -0.7095332012  -1.4615941028
O   -6.7653442642   0.7665380267  -1.0476751918
N   -0.6936555570   0.3311470488   0.4808967016
N   -2.2944964934  -0.0593498877  -1.1584473488
N   -3.2411831077   0.9633338645   0.7042286861
N   -4.5321542939   0.3412691094  -1.1606661565
N   -5.5524702138   1.3461686371   0.7161030230
C    2.8680118143   0.4569867067  -0.6839404868
C    3.1522851964  -1.0149183805  -0.8223674505
C    1.9032497289   1.0480675236   0.1390184445
C    4.1443767684  -1.4799446360   0.2458249482
C    3.6712132526   1.3279735166  -1.4218785858
C    1.7411685798   2.4320592770   0.2037518567
C    4.4632843677  -2.9441492389   0.1442586286
C    3.5226039595   2.7016030069  -1.3642721313
C    2.5470811919   3.2604504577  -0.5514999937
C   -0.9826538875  -0.1830398102  -0.7472668170
C   -3.3858831443   0.4386291668  -0.5007864343
C   -4.3627856457   1.4054072196   1.2795105369
C   -5.5731235807   0.8103267891  -0.5033866084
C   -4.2333588714   2.0166596193   2.6255103486
C   -6.9144044464   0.2237429694  -2.3603434406
H    2.2388467803  -1.5999016526  -0.7900204816
H    3.5875712987  -1.1668706396  -1.8106058826
H    5.0811385679  -0.9251420127   0.1566733619
H    3.7555505725  -1.2895260344   1.2468702166
H    4.4328043603   0.9042869468  -2.0642678114
H    0.9843867145   2.8733774610   0.8378205598
H    4.1665743760   3.3360147914  -1.9579889304
H    2.4151122447   4.3318619382  -0.5005349588
H   -1.4587698955   0.7628236229   1.0209749618
H   -2.4784518155  -0.4408904985  -2.0776536467
H   -3.6264445918   1.3894890547   3.2766161338
H   -3.7241234716   2.9782121400   2.5407148069
H   -5.2043779950   2.1799837799   3.0825405078
H   -6.6023937477  -0.8186631548  -2.3997941347
H   -6.3541814306   0.8005144368  -3.0947285943
H   -7.9748312868   0.2906506520  -2.5840240380
*