! 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
Cl   4.9151574927  -0.5767537341   0.1007671604
Cl  -5.3463474606   1.0507148526  -0.8025516954
F   -1.5385793701  -1.6780392928   0.9645697208
F    0.3193410053  -2.2924625931  -0.8723899936
O   -4.1665681789  -1.2507912864   0.6164168170
O    2.6559746036   3.1774785522   0.3584897388
O    4.4071857609   2.0662400926   1.1777266038
N    1.2615307323   0.9939496943   0.1497354971
N    2.9866250268  -2.6778202927  -0.6747480113
C   -0.9446830225   0.2070511752  -0.3143347128
C    0.5035452673  -0.0448293987  -0.1789317033
C   -1.9073680347  -0.6199098331   0.2400670716
C    1.0716782055  -1.2685477872  -0.4562317480
C   -1.3815162247   1.3422422666  -0.9948362561
C    2.4493715340  -1.4864489485  -0.3662884278
C   -3.2709493794  -0.3857522926   0.1010460013
C    2.5723723416   0.8480275050   0.2463948076
C    3.2087653918  -0.3664528208   0.0162363451
C   -2.7275906235   1.6139577303  -1.1476149062
C   -3.6630337852   0.7485993408  -0.6008051615
C    3.3263860875   2.0769394999   0.6482028320
C   -4.5860875655  -0.9625563989   1.9492495128
H   -0.6508648423   2.0134393043  -1.4249787412
H   -3.0476260619   2.4920743473  -1.6907083866
H    2.3970207580  -3.4852237697  -0.7798252438
H    3.9526655605  -2.8638155576  -0.4678711755
H   -5.0620069963   0.0178419787   2.0218331434
H   -3.7526874359  -1.0036662398   2.6538411858
H   -5.3129648783  -1.7249998597   2.2210572875
H    3.1634447570   3.9502836879   0.6505444269
*