! 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    0.0366239264   0.9444692822  -1.9386076079
F    5.5779113157  -0.1434704106  -0.1068125485
O   -0.1744511725  -1.0891308598   1.7740989608
N   -2.1151531604  -1.5416737398  -0.3804938666
N   -2.6966026927  -1.7373383761   0.8067210001
N   -4.2360178284  -1.2616674605  -0.7372226193
C   -0.0076526450  -0.6022120695   0.4662545553
C   -0.6773822145  -1.5837711181  -0.5189005171
C    1.4984890406  -0.5085067260   0.2568107143
C   -0.6166608617   0.7959722182   0.3218831405
C    2.1615596497  -1.0303760136  -0.8457537127
C    2.2490849496   0.1423364418   1.2361792987
C   -0.5635598221   1.5047212294  -0.8715514463
C   -1.2353501975   1.4324031303   1.3937646725
C    3.5401625106  -0.9127031539  -0.9771189465
C    3.6223614918   0.2697379488   1.1231674908
C   -1.0943803635   2.7682474331  -1.0284810769
C   -1.7753188172   2.7051147396   1.2690431048
C   -3.0449760382  -1.2525748952  -1.2900284732
C    4.2466379680  -0.2635681464   0.0114148101
C   -1.7087250958   3.3740345070   0.0572504272
C   -3.9675816218  -1.5567205680   0.5460030489
H   -0.4579578091  -1.3592786291  -1.5581807143
H   -0.3260384663  -2.5968283605  -0.3159540066
H    1.6290877964  -1.5470698295  -1.6319847893
H    1.7648347746   0.5676465917   2.1054770085
H   -1.2892482151   0.9345828926   2.3517241644
H   -1.1060109616  -1.3440490981   1.8925327933
H    4.0484332908  -1.3232342312  -1.8395631484
H    4.1955825602   0.7761445101   1.8886353579
H   -1.0225367894   3.2686627853  -1.9855786115
H   -2.2467316987   3.1715090414   2.1237102910
H   -2.8138574797  -1.0550105787  -2.3251426854
H   -2.1285290056   4.3654228863  -0.0487047539
H   -4.7231564629  -1.6456528211   1.3107762273
*