! 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 "1-OCTANOL"
end
*xyz 0 1
S   -2.4598761302  -0.0269230715  -1.5768250317
F    0.3938899683   4.2933099383   0.9300131834
F    0.2035619474   3.2587218590  -0.9582151050
F    5.9092510240  -1.9333785733  -0.9570647604
F    6.7505045284  -1.8468488146   1.0324351961
O   -2.8249888815  -0.4221725911  -2.9177396716
O   -2.7096094773   1.3277739683  -1.1240882060
O   -3.4436803737   1.0554364078   2.2452616636
O   -1.4262457745   0.5013424779   1.4587157958
O   -0.7478503066  -2.4146555985  -1.9600560875
O    1.8777262167   2.8062406176   0.4439786478
O    5.2344995774  -0.4045334444   0.5112622150
N   -0.8177082464  -0.2226836919  -1.3782404698
N    1.1327243341  -1.4667311464  -1.1548093331
N    1.4691273945   0.6957714829  -0.3524580729
N    3.1760305991  -0.9253355351  -0.3308765752
C   -3.2101904990  -1.1599053091  -0.4362674334
C   -3.3058666037  -0.8531009507   0.9232715847
C   -3.7956243473  -2.3035871188  -0.9546046562
C   -4.0040067889  -1.7199426260   1.7523943415
C   -4.4695584907  -3.1702408998  -0.1069351861
C   -4.5738421081  -2.8779142423   1.2417528754
C   -2.6132995919   0.3131559100   1.5472982053
C   -0.1938240333  -1.4280043022  -1.5322155097
C    1.9435564170  -0.5178083694  -0.5884348219
C    2.3056188469   1.5634022063   0.1910346473
C    3.9809874543  -0.0398206020   0.2153916837
C    3.6129635920   1.2618916140   0.5143301000
C   -2.8927588781   2.1670076214   2.9591377873
C    0.5364551534   3.1041662336   0.3357937480
C    5.6149260875  -1.7178129973   0.3366694777
H   -3.7393218051  -2.5238157725  -2.0105124040
H   -0.2991543164   0.5403202296  -0.9367130162
H   -4.0916400775  -1.5037407032   2.8087041490
H   -4.9179111381  -4.0678489015  -0.5097454835
H   -5.1043026886  -3.5481074425   1.9043526332
H    1.5727841055  -2.3662426889  -1.3027710057
H    4.2855773283   1.9752798572   0.9666203882
H   -3.7225581953   2.6117294961   3.4999904901
H   -2.4750199047   2.9051289658   2.2745429913
H   -2.1278722694   1.8479434508   3.6663078625
H   -0.1159655705   2.3688912414   0.8062838768
H    4.8786164223  -2.4448372681   0.6765202161
*