! 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   -3.6150766224  -0.8463019149  -2.3990586390
F   -2.2706157418   0.8228384721  -2.4739336964
F   -1.6294744337  -1.0442566363  -1.6097400668
O    4.5356311889  -0.0212435690   0.0198872200
O   -0.2271974168   1.2259211081  -0.3118531003
N   -0.1541149731  -0.3961002845   1.2943347461
C    4.2980104360   0.8540517327  -1.0878655500
C   -2.2658736283   0.5207861391   0.6743636064
C    1.2091043585  -0.6956307313   1.4095294902
C    3.5192385856  -0.5103018519   0.7538726523
C   -3.1583136368   0.2457351231  -0.3655822128
C    2.1878299532  -0.1306082365   0.5914551166
C   -0.7767096675   0.4882205968   0.4830927096
C    5.6248769553   1.5212659733  -1.3858869107
C    3.7703587522   0.0857121075  -2.2870278468
C    1.5602301038  -1.6232050487   2.3882358208
C    3.8722067159  -1.4411319741   1.7310254047
C   -2.7610850231   0.9096233636   1.9125042889
C   -4.5241204762   0.3731402871  -0.1529740419
C    2.8891454756  -1.9834361283   2.5380724314
C   -2.6660859500  -0.2021453908  -1.7114795848
C   -4.1266748891   1.0438655076   2.1172083277
C   -5.0070559689   0.7779857584   1.0831345211
H    3.5809609903   1.6284716700  -0.7944804951
H    1.9034254326   0.5894649959  -0.1566209278
H   -0.7565341640  -0.9589041600   1.8771417815
H    6.3803558354   0.7908089372  -1.6815472112
H    5.5071974573   2.2298498010  -2.2058189337
H    5.9977833103   2.0733964124  -0.5224178973
H    3.5708861601   0.7747748587  -3.1084509243
H    2.8399411143  -0.4427653665  -2.0764402740
H    4.5024840373  -0.6463649867  -2.6328966438
H    0.8011434830  -2.0619754236   3.0243466959
H    4.9087904743  -1.7294739071   1.8502055660
H   -2.0754537352   1.1282629579   2.7215559815
H   -5.2290774049   0.1538776659  -0.9428909925
H    3.1614782495  -2.7042990621   3.2979379213
H   -4.4966375422   1.3564490658   3.0844009916
H   -6.0736873209   0.8759712870   1.2329103672
*