! 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    0.3323640789  -0.7845182533   0.6492894043
F    5.3020322700  -3.4810253202  -0.2682113083
F    5.0285774464  -1.4272762837   0.3057368073
F    5.5307574756  -1.9152435757  -1.7277513064
O    0.4189500131  -2.0503258292  -0.0463492761
O    0.1487879111  -0.7813126676   2.0894213781
O   -0.4503862512   0.0809009632  -2.0916883747
O   -4.5363644851   0.9278400869   2.6140856551
N   -1.0050742366   0.0574399460   0.1079030318
N   -2.4976931463   0.8256163557  -1.5005571442
N   -4.6659540965   1.4954450575  -1.2967414148
N   -3.4567858341   0.8627823655   0.6149857915
N   -5.6996205627   1.5302232033   0.8156762236
C    2.6343084804   0.0280297354  -0.7583174040
C    2.6957759383  -1.1927659428  -1.6404926129
C    1.6900485144   0.2845802734   0.2428513623
C    3.3301629312  -2.4352114234  -1.0091282822
C    3.6157370407   1.0034490376  -0.9448363109
C    1.7372678207   1.4427678965   1.0192035140
C    4.7904103904  -2.3086298471  -0.6780758769
C    3.6691613718   2.1585381949  -0.1867427765
C    2.7265319517   2.3816432204   0.8061098978
C   -1.2539010226   0.2949514892  -1.2125110989
C   -3.5721767629   1.0670732071  -0.6905990172
C   -5.7070428822   1.7113280335  -0.4971785218
C   -4.5506470440   1.1064987146   1.3169791984
C   -6.9750508301   2.1547419937  -1.1337460752
C   -3.3374049873   0.4659099687   3.2375266760
H    1.7047153595  -1.4730040743  -1.9850260510
H    3.2507520377  -0.9250954171  -2.5405510504
H    2.8056544866  -2.7278926356  -0.0996795633
H    3.2231645929  -3.2640706660  -1.7118068827
H    4.3585017119   0.8486738183  -1.7173345144
H    0.9998461677   1.6245679620   1.7897105877
H    4.4495009003   2.8848254069  -0.3718566387
H    2.7575830440   3.2785457144   1.4092632540
H   -1.7493029800   0.2613301443   0.7867368492
H   -2.6531945908   1.0077438975  -2.4842907251
H   -7.4963856847   1.2855869445  -1.5420316584
H   -7.6340944456   2.6324147430  -0.4131023574
H   -6.7807269770   2.8328072144  -1.9626566811
H   -2.5152346136   1.1673532603   3.0941977139
H   -3.0534804004  -0.5224559067   2.8755198291
H   -3.5653258916   0.4011762853   4.2976915736
*