! 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   -2.4574209324  -1.6744650704   0.7566335654
F   -0.7508053988   2.2156377178   1.2509015196
F   -0.5004418082   3.8171660769  -0.1778748606
F    5.9129652302  -1.4595471812  -1.0753681447
F    7.2450224986  -0.4938339020   0.3274718646
O   -2.8161564477  -2.2723202925   2.0252099963
O   -2.8201904355  -2.3555002850  -0.4714763795
O   -3.5991021592  -0.1714498091  -2.6913611463
O   -1.4746050168  -0.0863563989  -1.9934382997
O   -0.2483637560  -3.5406852152   0.7149596744
O    1.2167586886   2.5916954764   0.2695990841
O    5.2731343316   0.3380381037   0.0671124304
N   -0.8120586077  -1.3497586266   0.7618926239
N    1.4027710354  -2.0217845037   0.4916936063
N    1.2656678549   0.3013726997   0.3719702459
N    3.3247252087  -0.8379611552   0.2726794347
C   -3.0727298148  -0.0179765137   0.6879261639
C   -3.2057451304   0.6307967965  -0.5401284003
C   -3.5055308048   0.5680569634   1.8660081234
C   -3.7741573668   1.8954844279  -0.5644655492
C   -4.0570566624   1.8395170411   1.8257353563
C   -4.1897488979   2.4985525744   0.6152712604
C   -2.6561242419   0.0657084794  -1.8108843805
C    0.0806727433  -2.3774081595   0.6557661084
C    2.0057268402  -0.7972661262   0.3744377930
C    1.9151071557   1.4486823064   0.2679232348
C    3.9392934191   0.3207355992   0.1740751232
C    3.2878505756   1.5436343407   0.1673378573
C   -3.1951598859  -0.6922595111  -3.9633834986
C   -0.1493439568   2.5571205067   0.0960349627
C    5.9722452557  -0.8494765619   0.1204098554
H   -3.4222427193   0.0463312060   2.8092059186
H   -0.4785982552  -0.3909423975   0.6436565251
H   -3.8864284707   2.4205496616  -1.5038818864
H   -4.3900733389   2.3065759405   2.7420547061
H   -4.6241435345   3.4884217123   0.5819985999
H    2.0362180049  -2.8107601987   0.4622648964
H    3.8058704007   2.4871744496   0.0817940776
H   -4.1096520778  -0.8148280620  -4.5358190573
H   -2.7050010028  -1.6590539745  -3.8525877447
H   -2.5312322961  -0.0017678806  -4.4823369176
H   -0.4698382074   1.8917534645  -0.7062854695
H    5.6388231142  -1.5300305770   0.9025232188
*