! 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   -2.2852315156  -0.1975912470  -1.5975780469
F   -0.2122982181   3.1292226529  -0.0288945240
F    0.9806266436   4.5663644500  -1.1142575175
F    5.8729996153  -2.0076839217   0.0750357140
F    6.7555309331  -1.4113640076   1.9568867880
O   -2.1646354705  -0.7016258171  -2.9478670508
O   -2.6265481073   1.1934195277  -1.3703372227
O   -2.5221368127   0.5717236194   1.4803219344
O   -4.6295472410   1.3162911935   1.4226832017
O   -0.6506090257  -2.6153889088  -1.1319750314
O    2.0133942236   2.9939866426  -0.0603332397
O    5.2416357052  -0.1374467260   1.1028990179
N   -0.8179530121  -0.3787373697  -0.8215185862
N    1.1331533292  -1.5340598309  -0.2802393907
N    1.5293323039   0.7571528411  -0.1503635901
N    3.1743118437  -0.8304002934   0.4169035637
C   -3.4451117881  -1.2229554591  -0.7329653297
C   -4.1031496034  -0.7638478224   0.4095728358
C   -3.7964088148  -2.4275109545  -1.3244214444
C   -5.1285981421  -1.5355358363   0.9401362330
C   -4.8005711066  -3.1993296374  -0.7611949063
C   -5.4686039693  -2.7512952987   0.3660176733
C   -3.7896336958   0.5055982217   1.1313741080
C   -0.1509021529  -1.5702569252  -0.7824637361
C    1.9650667963  -0.4836100839   0.0052591667
C    2.3954176897   1.7219148413   0.1102823047
C    4.0037934869   0.1545260898   0.6866119799
C    3.6823831393   1.4958608784   0.5526563454
C   -2.1096937935   1.7210339185   2.2241981272
C    0.8840455967   3.2716363260  -0.7973678454
C    5.6074025727  -1.4560368694   1.2719564778
H   -3.3040401651  -2.7676067905  -2.2234647326
H   -0.3502385763   0.4727394222  -0.5080938219
H   -5.6585468626  -1.1898359207   1.8175872031
H   -5.0672224649  -4.1422013618  -1.2182001933
H   -6.2634786320  -3.3428236009   0.7996592977
H    1.5573965023  -2.4481367798  -0.1835536381
H    4.3813991877   2.2924885189   0.7600218017
H   -2.3197777920   2.6448605786   1.6875034049
H   -1.0392170010   1.6133858783   2.3715532884
H   -2.6019802206   1.7499281891   3.1964053925
H    0.7845298609   2.6679168003  -1.6999688890
H    4.8730740430  -2.0590260914   1.8039338557
*