! 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   -2.2013897940  -0.1583595270  -1.4415519644
F   -0.0683101892   3.0824440426   0.4921865247
F    0.8532793896   4.5556607385  -0.7929708089
F    5.9077379254  -2.0805798111  -0.3343842431
F    7.0322059146  -1.4466385948   1.4007547205
O   -1.9933704984  -0.6061804785  -2.8021607504
O   -2.5365164084   1.2293658328  -1.1818325838
O   -2.6617093552   0.5090853840   1.6192669883
O   -4.7644240843   1.2513771812   1.4517799470
O   -0.6269541438  -2.6230555020  -0.9603779695
O    2.0950161967   2.9701180619  -0.0266813930
O    5.4357591956  -0.1728387644   0.7120372867
N   -0.7913103428  -0.3965288859  -0.5796253538
N    1.1842486439  -1.5562140211  -0.1472373700
N    1.5958796834   0.7344594229  -0.0518644137
N    3.2954172171  -0.8573644848   0.2998171082
C   -3.4277424650  -1.2052354832  -0.7053915606
C   -4.1646545716  -0.7919889750   0.4059845044
C   -3.7369359906  -2.3823757945  -1.3705440974
C   -5.2235048896  -1.5833666324   0.8311230487
C   -4.7768424317  -3.1749381030  -0.9115706553
C   -5.5207399712  -2.7740049945   0.1851498463
C   -3.9042862773   0.4515310834   1.1907096728
C   -0.1175488123  -1.5869186667  -0.6002592003
C    2.0458814569  -0.5069994511   0.0417207221
C    2.4915682872   1.6966187998   0.0884243512
C    4.1568253546   0.1249716122   0.4547486535
C    3.8265465247   1.4666973658   0.3517980202
C   -2.2870843419   1.6524738116   2.3906404288
C    0.8319797493   3.2538197021  -0.4939832136
C    5.8047019895  -1.4924385525   0.8699545387
H   -3.1846968192  -2.6858902204  -2.2472515030
H   -0.3117019198   0.4419210449  -0.2506016623
H   -5.8146945810  -1.2740893997   1.6827183119
H   -5.0098295038  -4.0970420066  -1.4255997424
H   -6.3416036501  -3.3831826292   0.5382728097
H    1.6159667092  -2.4701873589  -0.0913359146
H    4.5493690183   2.2612162402   0.4621639747
H   -2.4400208415   2.5766772907   1.8352724958
H   -1.2330705599   1.5255334947   2.6174309368
H   -2.8497243226   1.6950195513   3.3229027703
H    0.5390495727   2.6729281150  -1.3688626269
H    5.1378123935  -2.0693581345   1.5095187046
*