! 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    1.2135652792   1.4922583834  -1.5602958940
F   -0.1929722821  -1.8317656067   0.8931066028
F    1.1286441235  -0.5704811442   2.0298663721
F    0.8144788987  -2.6151164986   2.6257743320
O    1.1109804683   2.9028346128  -1.8693689727
O    1.2048981683   0.5340589968  -2.6521106118
O    0.2392545492   2.5510733738   1.0245280350
O   -3.2579713568  -1.7977451113  -1.8840424989
N   -0.0899597873   1.0285953047  -0.6258633503
N   -1.6360025996   1.2993637557   1.0944568579
N   -3.6278549952   0.2622407225   1.4696428355
N   -2.3966120901  -0.2444568772  -0.4659744499
N   -4.4435994684  -1.3246203043  -0.0619115869
C    3.0581831725  -0.0265089849  -0.1202287921
C    2.4084569092  -1.3413297799  -0.4878113057
C    2.6219286104   1.2450233616  -0.5097498077
C    2.1218838610  -2.2642317597   0.6971863960
C    4.2201637685  -0.0735805962   0.6493463696
C    3.2943407329   2.4033988699  -0.1280044421
C    0.9748265602  -1.8184504068   1.5592868033
C    4.9003862703   1.0693079336   1.0312299759
C    4.4343990401   2.3171124987   0.6473440820
C   -0.4415354097   1.6899747487   0.5186809674
C   -2.5815178975   0.4068524796   0.6753846982
C   -4.5356543773  -0.6177526385   1.0549201953
C   -3.3547701817  -1.0986723316  -0.7805880328
C   -5.7172552283  -0.8361440407   1.9299823458
C   -2.1046983359  -1.6340438969  -2.7094108805
H    1.5059237497  -1.2163394400  -1.0780682494
H    3.1002951217  -1.8742739785  -1.1439292087
H    1.8801877846  -3.2587334095   0.3167245402
H    3.0005025534  -2.3841779950   1.3320023346
H    4.6120125134  -1.0356427460   0.9547589672
H    2.9327840372   3.3739883976  -0.4341330580
H    5.7980169399   0.9826105008   1.6294032613
H    4.9535731703   3.2181351577   0.9439934691
H   -0.7582671092   0.3564117032  -1.0220585423
H   -1.8517949472   1.7725530134   1.9632869150
H   -6.5090222753  -1.3627349806   1.4035601629
H   -5.4242667778  -1.4352860052   2.7949435661
H   -6.0964371796   0.1110932500   2.3106486813
H   -2.2474123882  -2.3084418220  -3.5489201522
H   -1.1936981199  -1.9181786069  -2.1810712920
H   -2.0187736710  -0.6137365936  -3.0838536163
*