! 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  -3.3280613818  -2.6652773523   1.9890360796
F    5.6166162534  -0.9357720305  -0.0080628392
F    4.2527678764  -0.7995851557  -1.6708094957
F    5.8911120791   0.5750221245  -1.5039172731
F   -5.7194749769   1.7520083518   0.4837649949
F   -4.3035807576   2.8184764986  -0.7382610825
F   -5.5596323527   1.3118253429  -1.6147042206
O    2.8669162057  -1.8729515470   0.7218896698
N    1.1381160418  -0.9655095735  -0.4317098839
N   -1.6692564986  -0.3240844880  -0.7132595649
C   -0.7871516541  -2.3437953002   0.3095768303
C    0.3844685341  -2.1783659038  -0.6465176617
C   -1.8674753278  -1.3162551466   0.1453695564
C    2.8253638693   0.4839938192   0.4289934222
C    2.2886152236  -0.9073508947   0.2474388825
C    4.0943665036   0.8679006898  -0.0131549613
C   -3.0655682825  -1.3874987287   0.8611948175
C   -3.8128254802   0.5809178112  -0.2329751924
C   -4.0518621763  -0.4410034074   0.6730171971
C    2.0474330825   1.3960600856   1.1314836269
C    4.5631063469   2.1461851020   0.2596907262
C   -2.6001834022   0.5965374954  -0.9029344122
C    4.9614443408  -0.0760394015  -0.7949941390
C    2.5239001600   2.6681526317   1.4119935339
C    3.7835137746   3.0418837165   0.9768947404
C   -4.8500819802   1.6184173961  -0.5207109355
H   -1.2154560948  -3.3387156387   0.1584023594
H   -0.4273408874  -2.3335648749   1.3431019543
H    1.0528012900  -3.0291086596  -0.5291719637
H    0.0355040107  -2.1890567339  -1.6791588233
H    0.7310212236  -0.1142776084  -0.7861157749
H   -4.9800635077  -0.5086317260   1.2246658469
H    1.0647551777   1.1058758224   1.4816656467
H    5.5376038746   2.4632677135  -0.0849724182
H   -2.3603896096   1.3729005773  -1.6198483818
H    1.9088515694   3.3622446963   1.9689365154
H    4.1641465350   4.0322436585   1.1865587796
*