! 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    0.8009007648   0.2268317164   1.2125196753
F    3.3578581580  -3.7563215434   0.1964985695
F    5.2739229062  -3.3693700902   1.0969766054
F    5.0398436967  -3.2410331348  -1.0389200623
O    1.1182741546  -1.1820962344   1.2998952243
O    0.6576372118   0.9898210116   2.4387709240
O   -0.1364352198  -0.6091441999  -1.4725540080
O   -6.7691967427   0.7171491445  -1.0452160883
N   -0.6835372723   0.4266285986   0.4706671120
N   -2.2821176747   0.0125173387  -1.1666853437
N   -3.2545994715   0.9712777061   0.7162690244
N   -4.5289574072   0.3540657433  -1.1590446463
N   -5.5745430786   1.2924620314   0.7356249916
C    2.8676724870   0.4560716022  -0.6839374221
C    3.1120985831  -1.0251697905  -0.8043421803
C    1.9262187102   1.0837101504   0.1387904868
C    4.0955240065  -1.5056367614   0.2650534982
C    3.6862288567   1.2953179641  -1.4417585941
C    1.8035793131   2.4721611297   0.1877125401
C    4.4375543008  -2.9625266626   0.1296323292
C    3.5749517716   2.6732113538  -1.4017896354
C    2.6246726315   3.2688433710  -0.5854949494
C   -0.9668786348  -0.0957357651  -0.7566512496
C   -3.3844862703   0.4680117072  -0.5000387390
C   -4.3869149951   1.3706934584   1.3002679303
C   -5.5831820023   0.7800510014  -0.4931736296
C   -4.2754619974   1.9508826610   2.6635557696
C   -6.8888210077   0.1849915330  -2.3643725128
H    2.1844284713  -1.5861445682  -0.7581306136
H    3.5356619281  -1.2014057459  -1.7939818675
H    5.0268616725  -0.9378150802   0.2064511824
H    3.6868317142  -1.3458393787   1.2633890174
H    4.4288066371   0.8430699095  -2.0874880629
H    1.0648747274   2.9406620997   0.8242601213
H    4.2289203088   3.2819842909  -2.0119965107
H    2.5234416998   4.3445971403  -0.5461175868
H   -1.4574017091   0.8305511805   1.0198518772
H   -2.4605397783  -0.3616398762  -2.0902842360
H   -3.6045566349   1.3575537382   3.2835870125
H   -3.8502675623   2.9546326497   2.5991931129
H   -5.2482037924   2.0211805242   3.1426110194
H   -6.5449721959  -0.8479091007  -2.4124064898
H   -6.3367944026   0.7841329298  -3.0880369772
H   -7.9487473299   0.2229381145  -2.5995268241
*