! 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  -1.6806915732  -0.1489080619  -2.6722263320
Cl  -4.7580250005   3.1269891727   0.2053961006
F    4.2584942710   1.4741146724   0.4004800841
F    3.4159268341   0.0286744227   1.7661521124
F    5.2995503927  -0.5593361744  -1.1329431515
F    4.4031188123  -2.0273193202   0.2157758582
O    2.7378607861   0.0296666547  -0.3615870236
N   -0.8502611759  -1.9027118663   0.8002547619
N   -1.0923125473  -2.7555031719  -0.1952993477
N   -2.8152215776  -2.7102648730   1.2331228567
C    0.3436737459  -0.0526070252  -0.2878275186
C    0.3531413820  -1.1082333377   0.8261097920
C    1.5678387207   0.8503461396  -0.2102948429
C   -0.9175032909   0.7727529183  -0.2222184317
C   -1.8931155369   0.7647198933  -1.2166829018
C   -1.1757084227   1.5511294908   0.9054720097
C    3.7661477510   0.2113561067   0.4642922542
C   -3.0732550894   1.4858229482  -1.0975119468
C   -2.3401791813   2.2821448579   1.0538875700
C   -1.8874549504  -1.8771425176   1.6391651365
C   -3.2856792419   2.2372577023   0.0432722264
C    4.8910568244  -0.7692896377   0.1370581485
C   -2.2788813930  -3.2173366772   0.1064984774
H    0.3835170766  -0.5812283870  -1.2413744158
H    1.2052744671  -1.7769320399   0.7153044099
H    0.4193114524  -0.6474067405   1.8119879058
H    1.5538804823   1.5734469207  -1.0264318602
H    1.5905333082   1.4078673662   0.7281829714
H   -0.4526712562   1.5855681790   1.7111476064
H   -3.8144775981   1.4543907371  -1.8838735616
H   -2.5049902527   2.8695681943   1.9461664672
H   -1.9178145038  -1.2545622168   2.5198432713
H    5.7380249729  -0.6619058056   0.8164216896
H   -2.7762444920  -3.9526618682  -0.5069541443
*