! 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   -2.2135249738  -0.2050978665  -1.4964980762
F   -0.1533284519   3.0703144609   0.2887286342
F    0.8711347724   4.5291892289  -0.9314198096
F    5.9409505118  -1.9986553903  -0.2111544833
F    6.9665436901  -1.4104464305   1.5996616577
O   -2.0311826745  -0.6975264742  -2.8443162918
O   -2.5393301250   1.1903026988  -1.2754705213
O   -2.6381032401   0.5615349347   1.5591825966
O   -4.7243915996   1.3408803585   1.3578214291
O   -0.6120862240  -2.6504303322  -1.0055242678
O    2.0497119021   2.9660785500  -0.0289893802
O    5.3793803299  -0.1427046819   0.8810624396
N   -0.7893275456  -0.4206574484  -0.6487983887
N    1.1873717775  -1.5674053631  -0.1881550642
N    1.5747682022   0.7260745546  -0.0753232397
N    3.2695824224  -0.8500607129   0.3589437897
C   -3.4357586963  -1.2193895189  -0.7067456696
C   -4.1633467518  -0.7519511949   0.3887295797
C   -3.7575834147  -2.4213715289  -1.3194552614
C   -5.2300821773  -1.5121020558   0.8497417377
C   -4.8039145752  -3.1826255253  -0.8233725737
C   -5.5428965531  -2.7249376161   0.2544906857
C   -3.8804007096   0.5153500589   1.1259193158
C   -0.1112680257  -1.6075838259  -0.6512597325
C    2.0304888900  -0.5114605895   0.0406182975
C    2.4517119660   1.6970354550   0.1135157034
C    4.1107484239   0.1409769117   0.5623201475
C    3.7715801725   1.4799079971   0.4518540608
C   -2.2543325952   1.7132490117   2.3148079449
C    0.8321299687   3.2331963805  -0.6144934820
C    5.7677808878  -1.4591826404   1.0088645770
H   -3.2094411829  -2.7669656731  -2.1832371089
H   -0.3175063048   0.4239327229  -0.3234962725
H   -5.8152013783  -1.1592287545   1.6885622020
H   -5.0486121095  -4.1241365931  -1.2953436071
H   -6.3720418573  -3.3072451605   0.6327212679
H    1.6240152426  -2.4784123499  -0.1221158488
H    4.4795414413   2.2812712802   0.6022951848
H   -1.1985879865   1.5874225037   2.5341675328
H   -2.8092624271   1.7649434060   3.2513754290
H   -2.4116108550   2.6324013139   1.7531108845
H    0.6233024916   2.6332741509  -1.5007318480
H    5.0832635806  -2.0733019169   1.5919192793
*