! 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  -4.7879430277   1.8337320675  -0.2007439224
F   -0.4646353417  -1.9989891969   1.5138681165
F   -2.5095649858  -2.5741452210   1.1982835748
F   -1.0482052810  -2.9339658396  -0.3322589134
O    2.6063050885   1.3649497192   1.1250435699
N    2.7393089543  -0.9993661449  -0.5760197503
N    0.5318064989  -0.6148457535  -0.9147733538
N    4.8124004108  -1.7504545245  -0.5190739119
C    1.5428107200  -0.3919001049  -0.1917730684
C    1.5652467411   0.4376648051   1.0780717277
C    2.4926980858   2.4831889549   0.2536057906
C   -0.7086555285  -0.0304711272  -0.6905043673
C    2.0093458306   3.7315733258   0.9664560969
C   -1.7208394332  -0.7040044574   0.0042781687
C   -0.9963948033   1.2124076351  -1.2499932409
C   -2.9739799060  -0.1258793766   0.1552970308
C    2.9222018745  -1.7397113032  -1.7276247407
C    0.6044051007   3.6406468318   1.5425272824
C    3.9249231562  -1.0486056940   0.1110845786
C   -1.4407154818  -2.0527253256   0.5926077146
C   -2.2431627713   1.7918125123  -1.1010468156
C   -3.2250759473   1.1189116145  -0.3936469202
C    4.1986079637  -2.1866742741  -1.6693739735
H    1.6959420356  -0.2371510977   1.9287673267
H    0.5824251991   0.9019278678   1.1976870271
H    1.8380127498   2.2572391711  -0.5975624964
H    3.4880111357   2.6607799991  -0.1601858232
H    2.7190318475   3.9918769782   1.7565921949
H    2.0533927541   4.5469761493   0.2387481070
H   -0.2344192783   1.7281644717  -1.8192980877
H   -3.7571547515  -0.6358576896   0.6984040929
H    2.1421757242  -1.8724552112  -2.4559442345
H    0.5358536471   2.9126992465   2.3523227340
H    0.2951254515   4.6014473800   1.9560572403
H   -0.1284573284   3.3672620499   0.7799559010
H    4.0775548963  -0.5574485631   1.0567899321
H   -2.4400131765   2.7614436609  -1.5378171694
H    4.7160476761  -2.7976489026  -2.3921047222
*