! 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    4.7885187886   1.7641006568  -0.0613635129
F   -2.6131101976   0.9411642100  -2.4787035594
F   -2.8405411050   2.5133538453  -0.9878158967
O   -0.8644664626  -0.1065887809   1.8853101189
N   -0.5402569412   0.3402673621  -0.3058660873
N   -4.7874688507  -0.9086676019   0.7647268898
N   -4.8712934973  -0.0677611973  -0.2547156549
C    4.0291402933  -1.0772651940   0.5475768269
C    2.9827415654  -2.1358099573   0.9763896116
C    1.6229621375  -1.7366169021   0.3743542021
C    3.1409429455   0.0985330027   0.2009080259
C    1.7979910664  -0.2609582514   0.1289234138
C    4.9974904241  -0.7902264449   1.6945686948
C    4.8184831305  -1.5273596746  -0.6862462977
C    1.2714383023  -2.4873095710  -0.9093841958
C    0.8304836202   0.6803863084  -0.2035254611
C    3.4943462867   1.4009006446  -0.0941260195
C    1.2170463676   1.9872614081  -0.4775745209
C    2.5531842569   2.3542544606  -0.4333180414
C   -1.3115022426   0.0291557438   0.7569275280
C   -2.7489132612  -0.1699494608   0.4887953959
C   -3.6505713310   0.3887072301  -0.4448601007
C   -3.5454913234  -0.9958109145   1.2530292495
C   -3.4506399692   1.4107566698  -1.4998836804
C   -5.9574847558  -1.6156494414   1.2365289409
H    2.9013189370  -2.1315438113   2.0659906734
H    3.2867276694  -3.1444688141   0.6877194373
H    0.8278620465  -1.9177852487   1.0996968180
H    4.4798079167  -0.3713505357   2.5592754225
H    5.4776377251  -1.7170024325   2.0164403491
H    5.7901091635  -0.0989733773   1.4087916297
H    4.1648239936  -1.7805361883  -1.5219057420
H    5.5034316697  -0.7502149363  -1.0291218237
H    5.4157861652  -2.4122012459  -0.4556794389
H    1.1888903402  -3.5578174502  -0.7139208797
H    2.0262255279  -2.3490643876  -1.6849189480
H    0.3151399270  -2.1570782115  -1.3170397340
H    0.4660738226   2.7257171911  -0.7287158420
H    2.8559974181   3.3699154474  -0.6520364146
H   -0.9575164271   0.3941919795  -1.2213668672
H   -3.3006351716  -1.6336977746   2.0871373702
H   -4.3898488181   1.7036228910  -1.9688813963
H   -5.8312612578  -2.6884979372   1.1070117276
H   -6.1310895923  -1.3984109510   2.2881091260
H   -6.8146195190  -1.2856311168   0.6585018588
*