! 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
F   -3.0302104989   0.9808524454   2.4303003046
F   -2.2134076494  -1.0376188456   2.5101882326
O   -0.6759081302   0.1556191610  -1.6683289055
N   -0.7355162933   0.9429268885   0.4531386586
N   -4.5791149759  -1.0243596772  -1.0817730417
N   -4.6509350860  -0.9597380626   0.2391816271
C    3.1919891493  -0.4917345700  -1.0678200304
C    1.9649835894  -0.6463216028  -0.1369603456
C    3.9763206334   0.3700270473  -0.0516164467
C    2.6134454704  -1.2419212408   1.1385601665
C    3.9983711054  -0.5538776912   1.1910691502
C    1.6981331394   0.8023687408   0.1750686699
C    2.9485604674   1.4280088894   0.2424314297
C    3.8544498931  -1.7737032256  -1.5663590760
C    0.5505313536   1.5203771604   0.4643147709
C    3.0785460357   2.7524028580   0.6101596663
C    5.1591533304  -1.4579687142  -2.2902110408
C    2.9075736754  -2.5370324061  -2.4869801711
C    0.6750351529   2.8676438412   0.8173528421
C    1.9193829776   3.4717189763   0.8960853731
C   -1.2755210919   0.3103197842  -0.6164932281
C   -2.6488477179  -0.2030430236  -0.4615413573
C   -3.4985429138  -0.4642746827   0.6394324033
C   -3.4041277953  -0.5938613092  -1.5483394764
C   -3.2953485249  -0.3238400308   2.1012000069
C   -5.6780643072  -1.5598534852  -1.8547763003
H    2.9231901097   0.1096759434  -1.9448888796
H    1.1266524429  -1.2191731055  -0.5221354960
H    4.9534450153   0.7438858673  -0.3554323664
H    2.7073587466  -2.3258515248   1.0497925458
H    2.0088638322  -1.0503286431   2.0257018659
H    4.1586708237   0.0098914718   2.1107489779
H    4.8109946882  -1.2795820887   1.1186334074
H    4.0929098307  -2.4253323050  -0.7192788398
H    4.0500843585   3.2266539487   0.6768239908
H    4.9922478361  -0.7768966060  -3.1287856364
H    5.8945919436  -0.9942290610  -1.6307101189
H    5.6155807352  -2.3651747949  -2.6913207371
H    3.3743054116  -3.4500583867  -2.8623484346
H    1.9874125953  -2.8310609964  -1.9793674423
H    2.6256276163  -1.9322192769  -3.3527545142
H   -0.2159141525   3.4478795303   1.0266090978
H    1.9836279007   4.5160058838   1.1738028678
H   -1.3605056420   1.2542506988   1.1794131971
H   -3.1763198854  -0.5812393187  -2.6019054219
H   -4.1714862412  -0.6442146708   2.6648140288
H   -5.9528792521  -0.8670026521  -2.6462266648
H   -5.4053101667  -2.5193439487  -2.2910233876
H   -6.5275402178  -1.7005795791  -1.1937443445
*