! 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   -1.6284226729  -2.2901517589   0.8720600913
F    2.6997490638   4.7988827584   3.0265924915
F    3.1632307393   6.2126381620   1.4575571620
F    3.2710793838  -1.7661212589  -2.3381328486
F    2.4135262672  -2.1189335945  -0.3872744456
O   -2.0802009795  -2.7484890686   2.1654887822
O   -0.8218549100  -3.1545888364   0.0315457970
O   -1.6063854403  -2.7150717036  -2.9982444019
O   -0.7362132383  -0.8964595494  -2.0268129983
O   -2.1942958412   0.2278439848   2.3020055060
O    3.1870297617   4.1123579574   0.9683387753
O    3.2297480687  -0.1180288426  -0.9479254351
N   -0.6849310608  -0.9293435843   1.0657058627
N   -0.2796654583   1.2652608086   1.7296943173
N    1.4566817699   2.6702895085   1.3503516895
N    1.4632970652   0.5303588846   0.3654176551
C   -3.0301930670  -1.7466869064  -0.0625204301
C   -2.9272136615  -1.5888473382  -1.4447045439
C   -4.2371905599  -1.5664437527   0.5933671402
C   -4.0608074620  -1.2408885169  -2.1633074263
C   -5.3574559374  -1.1998429881  -0.1373405260
C   -5.2683894747  -1.0370766852  -1.5096531906
C   -1.6250072153  -1.6973792755  -2.1693219208
C   -1.1269638315   0.1785754086   1.7345104172
C    0.9258766792   1.4811055896   1.1144651269
C    2.6124686211   2.9190854352   0.7739856410
C    2.6297721326   0.8103056778  -0.1925695551
C    3.2824245469   2.0162968634  -0.0352323241
C   -0.4019306670  -2.9390692794  -3.7393952858
C    2.5301906259   5.0635868911   1.7202366846
C    2.5180119056  -1.2160396776  -1.3790878126
H   -4.3158074241  -1.7137526549   1.6605420239
H    0.1954239748  -0.8787934413   0.5477683152
H   -4.0026656606  -1.1143756299  -3.2362770636
H   -6.2995652871  -1.0496249144   0.3712442210
H   -6.1424914436  -0.7553132837  -2.0808255895
H   -0.6252746067   2.0498787700   2.2677817470
H    4.2289629660   2.2369277924  -0.5056404258
H   -0.6080077119  -3.7816493386  -4.3924317063
H    0.4192824821  -3.1992625024  -3.0712437553
H   -0.1302724902  -2.0719398063  -4.3396116479
H    1.4689982728   5.1573667721   1.4940467883
H    1.5307588187  -0.9714815549  -1.7688244266
*