! 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    5.0528109361  -1.5509065411   1.3843092688
F    5.7485793612  -1.2927049224  -0.6646466581
O    1.6687112884  -2.0244494090  -0.5771169049
N    0.1697801416  -0.4330164584   0.0593217299
N    3.5960486008   2.0028638084   0.0160172441
N    4.5193717723   1.0558399902   0.0782691373
C   -3.7950996099   1.3507490659   0.0358789931
C   -2.4129354423   1.0701995582   0.6718293854
C   -4.4445711751   0.0994568393   0.6696779751
C   -2.7883440820   1.0446404470   2.1730367589
C   -4.1831218265   0.3704581455   2.1714797045
C   -2.2042651421  -0.3673036102   0.2630369560
C   -3.4640045843  -0.9649076316   0.2562966096
C   -3.8590054750   1.4669156303  -1.4845729053
C   -1.0586675958  -1.1024818816  -0.0124286179
C   -3.6204032425  -2.3022966712  -0.0466264859
C   -3.0115698068   2.6348776476  -1.9782595399
C   -5.3038100551   1.6308438314  -1.9462197449
C   -1.2124424724  -2.4566017391  -0.3434150266
C   -2.4751943613  -3.0311309718  -0.3588165645
C    1.4166102101  -0.8816961052  -0.2292321890
C    2.4772199836   0.1303659564  -0.0931148475
C    3.8679990735  -0.0855808493   0.0059739460
C    2.3594267171   1.5079366886  -0.0864325119
C    4.6259235285  -1.3640802975   0.1004162046
C    3.9712946056   3.3994795968   0.0452116028
H   -4.2255452884   2.2648009330   0.4649059500
H   -1.6170746805   1.7758392272   0.4300129504
H   -5.4877198677  -0.1013253128   0.4300040914
H   -2.8410042500   2.0625710557   2.5633514680
H   -2.0533964842   0.5057553640   2.7717908928
H   -4.2157939603  -0.5434658333   2.7652100770
H   -4.9463789358   1.0414572002   2.5693462952
H   -3.4640226304   0.5490649802  -1.9332749286
H   -4.5955175122  -2.7732528599  -0.0541328176
H   -1.9534364642   2.5052052928  -1.7450872768
H   -3.0883693343   2.7447883939  -3.0617842244
H   -3.3355587871   3.5781480142  -1.5303112810
H   -5.9240044586   0.7761425063  -1.6715569769
H   -5.7606015688   2.5231232606  -1.5097955592
H   -5.3609927060   1.7326864127  -3.0317156316
H   -0.3584911238  -3.0665537691  -0.5867085828
H   -2.5611945813  -4.0779267676  -0.6216704164
H    0.1086003647   0.5019984952   0.4288689451
H    1.5041969226   2.1598522737  -0.1745864681
H    4.0514151770  -2.2357299445  -0.2014495498
H    5.0524572959   3.4607200546   0.1133953050
H    3.6413192710   3.8993729031  -0.8628515933
H    3.5301832607   3.8927722379   0.9087241236
*