! 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   -2.4122956747  -0.2037321450  -1.6908433768
F    0.3581648680   4.3341172944   0.7623146111
F    0.1118056114   3.1518299558  -1.0290688175
F    7.0100877260  -1.5463358146   0.5902635961
F    5.2091387910  -2.4308311570   1.3951303683
O   -2.6875376593  -0.7485101429  -2.9999874434
O   -2.6992628719   1.1889313174  -1.4053531059
O   -3.7138739977   1.4291740076   1.6481301957
O   -1.6087086761   0.7172327673   1.3900140647
O   -0.6652365338  -2.5802500843  -1.7616656541
O    1.8500843015   2.8369207124   0.3351056327
O    5.2362482963  -0.3246985632   0.6743889507
N   -0.7844316779  -0.3517622354  -1.3596057869
N    1.1738747038  -1.5482330372  -0.9706366357
N    1.4685376522   0.6695823014  -0.3124212210
N    3.1930812310  -0.9265539523  -0.1513239029
C   -3.2194155986  -1.2079251848  -0.4746619796
C   -3.4056650058  -0.7241671288   0.8203495586
C   -3.7308199034  -2.4353339680  -0.8638058876
C   -4.1163745069  -1.4982041368   1.7252532218
C   -4.4211656368  -3.2062103547   0.0592435607
C   -4.6116919308  -2.7389849941   1.3485460480
C   -2.7989801659   0.5549819184   1.2978051217
C   -0.1385916606  -1.5556459902  -1.3915758096
C    1.9622977210  -0.5502607385  -0.4598973505
C    2.2905552569   1.5824261716   0.1779423087
C    3.9834011652   0.0046294371   0.3366037496
C    3.5980764088   1.3205160659   0.5340507762
C   -3.2620283984   2.6987623699   2.1306870334
C    0.5007896282   3.1037224815   0.2585744867
C    5.6821098426  -1.6084165426   0.4421693567
H   -3.6028223489  -2.7928102375  -1.8748319214
H   -0.3003253344   0.4598586142  -0.9692810880
H   -4.2737368083  -1.1415365715   2.7343327447
H   -4.8141034748  -4.1686753725  -0.2375641109
H   -5.1539076547  -3.3369638590   2.0681216305
H    1.6253462936  -2.4521250439  -1.0328802982
H    4.2580826397   2.0735390643   0.9378555726
H   -2.6173169653   2.5915271210   3.0012079053
H   -4.1572383549   3.2465213739   2.4082447321
H   -2.7370511873   3.2468318415   1.3484686639
H   -0.1173118631   2.3962221278   0.8094876516
H    5.4288719528  -1.9974829064  -0.5430913426
*