! 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
Cl  -0.4288083425   2.9123886135   1.6231689950
Cl   0.6424366944   4.5762287893  -0.8279704553
F    5.2811662477  -3.1087622453   0.0009543133
F   -1.6321718106  -0.5043854193   2.5588995297
F   -2.3092702588  -2.4888230449   1.9691379504
O   -0.2224711101  -0.8970155522  -1.9729879656
N   -0.0808066478  -1.8750883724   0.0558605188
N   -4.0114143142   0.2957546978  -0.9118929531
N   -4.0379341264  -0.0696370961   0.3612596801
C    2.2474416878  -1.1510356676  -0.1405652672
C    1.2948076400  -2.1684875602   0.0055799112
C   -2.1011146270  -0.7195147793  -0.5862546792
C    1.8644215087   0.2692023912  -0.2811329440
C   -2.8952022324  -0.6827867512   0.5860986572
C   -0.7380512451  -1.1763821819  -0.9039666994
C   -2.8793366222  -0.0647383861  -1.5200584834
C    3.5969236935  -1.4908596539  -0.1598712782
C    1.7068227130  -3.4871607680   0.1499474912
C    1.0215977611   0.8785468750   0.6413007543
C    2.3372518775   1.0148588753  -1.3566338105
C    3.9739564988  -2.8084680010  -0.0026800572
C    3.0514684042  -3.8203395880   0.1602975803
C   -2.6654613896  -1.1656221538   1.9699365854
C   -5.1110564134   1.0376263317  -1.4872900301
C    0.6390035877   2.1993579510   0.4758779349
C    1.9683117613   2.3379525603  -1.5167436315
C    1.1110815591   2.9344785037  -0.6054635405
H   -0.6053185474  -2.3025673963   0.8017002381
H   -2.6876261244   0.1608533691  -2.5567093058
H    4.3518475026  -0.7215576333  -0.2628118886
H    0.9645469853  -4.2685603888   0.2506817860
H    0.6532173622   0.3287746615   1.4954779323
H    2.9834078553   0.5559285409  -2.0933749318
H   -3.5554115876  -1.0521660831   2.5885534106
H    3.3696766569  -4.8472585346   0.2802917288
H   -5.5045955097   0.5183352904  -2.3580472822
H   -5.8936527177   1.1256651947  -0.7406155490
H   -4.7840005176   2.0335975816  -1.7790975964
H    2.3360028089   2.9052804359  -2.3607829761
*