! 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    2.2604608387   1.1044551812  -2.5342974038
F    2.8772704794  -0.9814822807  -2.5443196972
O    0.9033728384  -0.7468495959   1.7248538090
N    0.5356163202  -0.6803549772  -0.5005195089
N    4.6536842654   0.7193187773   1.0181864960
N    4.6825729341   0.7501527595  -0.3053906352
C   -3.2922199976   1.0765756613   0.8786351113
C   -1.8863194172   0.5219641466   1.2132511546
C   -3.9782823700  -0.3015977606   1.0297565069
C   -2.1525034348  -0.0936534493   2.6092880963
C   -3.5896937818  -0.6553567769   2.4841662076
C   -1.8076945624  -0.6286200560   0.2451787373
C   -3.1068258129  -1.1414699133   0.1358026165
C   -3.4564341426   1.7945976772  -0.4582611453
C   -0.7804788242  -1.1909107330  -0.4911038732
C   -3.3984488400  -2.2083902927  -0.6874108427
C   -2.5898227714   3.0491603462  -0.5071835008
C   -4.9183279241   2.1529138344  -0.7046382732
C   -1.0740045245  -2.2660714364  -1.3383019771
C   -2.3612883452  -2.7651244930  -1.4363429019
C    1.3056950097  -0.5080479037   0.5965437749
C    2.6758575063   0.0083307303   0.4037893607
C    3.5005689298   0.3287218894  -0.7029202443
C    3.4825635821   0.2866163545   1.4897109596
C    3.2753195309   0.2701879107  -2.1670948755
C    5.7892362049   1.1751466156   1.7887393371
H   -3.6265819844   1.7576451304   1.6722318335
H   -1.0593693989   1.2282746774   1.1898209581
H   -5.0471566591  -0.3574569174   0.8275351450
H   -2.0968161804   0.6833625637   3.3740875889
H   -1.4172303712  -0.8535767122   2.8643965819
H   -3.6455587924  -1.7279823547   2.6740678144
H   -4.2718291085  -0.1685628988   3.1839086916
H   -3.1321450300   1.1305234753  -1.2669541731
H   -4.4068959247  -2.5945044106  -0.7732551725
H   -1.5259556731   2.8192744252  -0.4291085834
H   -2.7323647730   3.5893457869  -1.4455023382
H   -2.8388048879   3.7361001159   0.3063035087
H   -5.5543884735   1.2687971864  -0.7723320364
H   -5.3143593007   2.7830020498   0.0964947615
H   -5.0355282279   2.7037251048  -1.6402637894
H   -0.2808801643  -2.7082687334  -1.9297232884
H   -2.5597239965  -3.5921627720  -2.1060461977
H    0.9564798586  -0.6106783281  -1.4102686805
H    3.2874770807   0.2028256036   2.5462782684
H    4.1715095142   0.5357253184  -2.7273847285
H    6.6609122382   1.1957184315   1.1430697773
H    5.6095437439   2.1741620933   2.1811093104
H    5.9738421452   0.4924618157   2.6132955636
*