! 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   -2.4461128214  -0.0445098254  -1.6168443784
F    0.3734303610   4.3105253983   0.9263355039
F    0.1950144155   3.2908250732  -0.9712474522
F    7.0165765632  -1.5698479369   0.3102826165
F    5.2178952724  -2.4779610827   1.0947255934
O   -2.7927746358  -0.4559325972  -2.9576935075
O   -2.7158520531   1.3098208315  -1.1755952716
O   -3.4741954390   1.0659794133   2.1752738424
O   -1.4404934508   0.5165339814   1.4290781139
O   -0.6912508185  -2.3954606679  -2.0343039621
O    1.8665675283   2.8367954825   0.4322596921
O    5.2551304099  -0.3395068449   0.4809251239
N   -0.8035590777  -0.2196011619  -1.3993024029
N    1.1679566382  -1.4336036901  -1.1976035660
N    1.4764883575   0.7256465403  -0.3731761921
N    3.1997513786  -0.8784421422  -0.3576857523
C   -3.1929833456  -1.1774343516  -0.4736055227
C   -3.3009184485  -0.8590020793   0.8819124262
C   -3.7607327372  -2.3329407739  -0.9850638280
C   -3.9925331176  -1.7268176962   1.7151780112
C   -4.4291097190  -3.1999600887  -0.1332605070
C   -4.5443188628  -2.8968715394   1.2120053612
C   -2.6279325662   0.3225438165   1.4984342435
C   -0.1576443895  -1.4098555330  -1.5788194487
C    1.9653225846  -0.4802821629  -0.6195101002
C    2.3055234429   1.5994509773   0.1718788975
C    3.9979956598   0.0142179498   0.1863855417
C    3.6181941470   1.3120053337   0.4867681506
C   -2.9421230912   2.1880317417   2.8870801173
C    0.5243852088   3.1276271976   0.3227943070
C    5.6863708817  -1.6130585790   0.1775074864
H   -3.6964496176  -2.5610933509  -2.0387028959
H   -0.3015193306   0.5436490154  -0.9402689219
H   -4.0883258117  -1.5024440222   2.7689696314
H   -4.8646465056  -4.1065507442  -0.5300294576
H   -5.0694554627  -3.5678375363   1.8779327248
H    1.6215817031  -2.3247926417  -1.3547083107
H    4.2859572416   2.0331500851   0.9338621931
H   -3.7802222714   2.6233565480   3.4228433866
H   -2.5326325675   2.9291858222   2.2007774939
H   -2.1754718032   1.8827736588   3.5981187730
H   -0.1256645033   2.3846434660   0.7840626591
H    5.4167937199  -1.9505813808  -0.8220271212
*