! 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    2.3754537475   0.1507079539  -2.7012772167
F    3.2795461249   2.1074763176  -2.3567116916
O    0.8906332372  -0.9253276169   1.8456831244
N    0.5471343067  -0.9014547238  -0.3979643413
N    4.7449285074   0.3111615721   0.8288648636
N    4.4583598330   0.8954951563  -0.3265406900
C   -3.2673813529   0.9666496699   0.8195596319
C   -1.8878457932   0.3887831591   1.2164370233
C   -3.9922031815  -0.3893961820   0.9903248935
C   -2.2124323141  -0.1784863816   2.6202948504
C   -3.6592302251  -0.7070959256   2.4659216256
C   -1.8082525547  -0.7909796693   0.2843785360
C   -3.1149044534  -1.2767639314   0.1502222983
C   -3.3688319023   1.6436495303  -0.5444510910
C   -0.7740396107  -1.3929355938  -0.4094632234
C   -3.4081309937  -2.3589602847  -0.6524779560
C   -2.4595731483   2.8670270831  -0.6090211949
C   -4.8105118492   2.0416400828  -0.8447357839
C   -1.0678443445  -2.4848453954  -1.2349333623
C   -2.3628142306  -2.9585812995  -1.3554028463
C    1.2914481574  -0.6924948418   0.7186815871
C    2.6430390399  -0.1586031561   0.4824738286
C    3.1923633631   0.6226565426  -0.5578880177
C    3.6952730113  -0.3221347871   1.3595982924
C    2.5198003412   1.1543416031  -1.7749463422
C    6.0774794075   0.3996399191   1.3837367841
H   -3.6101578897   1.6812703071   1.5793740673
H   -1.0431556230   1.0743253223   1.2012726734
H   -5.0550603891  -0.4251652227   0.7548824462
H   -2.1604043135   0.6190871138   3.3635406093
H   -1.5049975543  -0.9483239504   2.9207322526
H   -3.7504993270  -1.7710600280   2.6869362211
H   -4.3492910320  -0.1805315894   3.1275697494
H   -3.0447621317   0.9418544249  -1.3205110062
H   -4.4228592032  -2.7225529847  -0.7593374937
H   -1.4069252456   2.6056700839  -0.4873499935
H   -2.5541817699   3.3777995905  -1.5692967859
H   -2.7114022022   3.5895774972   0.1720430028
H   -5.2033217801   2.7161164239  -0.0790763570
H   -4.8840293661   2.5586075753  -1.8036495383
H   -5.4750153613   1.1776268204  -0.8945922938
H   -0.2689343448  -2.9578342239  -1.7940427569
H   -2.5607776131  -3.7989296377  -2.0085094785
H    1.0432814767  -0.9884616166  -1.2715131711
H    3.7548765600  -0.8482554312   2.2989339542
H    1.5291519774   1.5651733075  -1.5755046709
H    6.5211462081  -0.5904383278   1.4654805288
H    6.6850021478   1.0078869084   0.7213430019
H    6.0485562789   0.8631336398   2.3674723504
*