! 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  -6.0104464171  -4.3635739109  -0.8842926287
F    1.8318682184  -1.2950988516   1.8333692713
F    0.5145831173  -2.4382049313   0.6102264807
F    2.2612719051  -1.6075492447  -0.2705887096
O    3.2396062525   0.6667440882   0.6774540330
O   -3.1098707750   0.6348000781   0.0613289274
N    4.1226666882   3.2484784029   0.4586526350
N    4.8788738931   3.7133164901  -0.5404925220
N    6.1162486303   3.4099930011   1.2996021150
C    2.5205736520   1.4797451091  -0.2108676530
C    1.0332459047   1.1296692711  -0.1302013398
C    2.7275594506   2.9412851927   0.2784787173
C    2.9974466097   1.3142435100  -1.6527539839
C    0.4900943942  -0.1080710580   0.2600276553
C    0.1272871169   2.1178134305  -0.5178321890
C   -0.8930012424  -0.2754416444   0.3255213074
C   -1.2424391805   1.9453123399  -0.4871052959
C   -1.7557987615   0.7434157776  -0.0385495363
C    1.2939749830  -1.3418918168   0.6128122989
C    4.8747248858   3.0679548003   1.5469414253
C    6.0631544827   3.7948509260   0.0095150447
C   -3.7306749075  -0.5625048562  -0.1676901628
C   -4.7457442112  -0.9306042441   0.7023379844
C   -3.4144818502  -1.3587876844  -1.2608915807
C   -5.4559729230  -2.0997905753   0.4792311699
C   -4.1157093093  -2.5339785370  -1.4771722598
C   -5.1319846555  -2.8970108707  -0.6068362552
H    2.3255549008   3.6789428614  -0.4116800852
H    2.2301705470   3.0778036394   1.2387373750
H    2.4465672701   1.9711500264  -2.3252766793
H    4.0564570470   1.5569584383  -1.7562628415
H    2.8498350549   0.2913824343  -1.9966258789
H    0.4885856626   3.0716263423  -0.8746575775
H   -1.3099454997  -1.2125005489   0.6646119173
H    4.0531664549   0.3684335600   0.2594238980
H   -1.9021557715   2.7440846267  -0.8003514783
H    4.4779664947   2.7051945950   2.4819631732
H    6.9218466638   4.1498586557  -0.5396618318
H   -4.9873352022  -0.3024169990   1.5501161874
H   -2.6316310723  -1.0742007640  -1.9525882800
H   -6.2494836622  -2.3839334176   1.1570439187
H   -3.8701627651  -3.1549022606  -2.3279095168
*