! 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    2.7554495522   2.7619368122  -1.3899530476
F    1.2595570999   2.1622252438   0.0809395206
O    1.9126350508  -2.7125853061  -0.4537793281
N    0.5348782604  -0.9682997214   0.0544738170
N    4.9193512173   0.0429138087   0.4734737962
N    4.3080434732   1.1168682449  -0.0047062773
C   -3.2536561894   1.1062905816   0.4306828923
C   -1.9242908795   0.5788726213   1.0199321473
C   -4.0312487942  -0.1804448610   0.7905563319
C   -2.3488240370   0.2817954065   2.4780429779
C   -3.7990163059  -0.2379489727   2.3198895279
C   -1.8275278003  -0.7591756045   0.3264041607
C   -3.1341311161  -1.2276930498   0.1886059682
C   -3.2292653792   1.5243187966  -1.0373507248
C   -0.7456093001  -1.5177430843  -0.1002676339
C   -3.3990531531  -2.4583448277  -0.3763060309
C   -2.3801120725   2.7773076229  -1.2296862778
C   -4.6398173005   1.7603460486  -1.5668155485
C   -1.0083754800  -2.7609599284  -0.6936957933
C   -2.3145993600  -3.2103014832  -0.8225506888
C    1.7470282754  -1.5425710570  -0.1533773484
C    2.8956561812  -0.6344371373   0.0198785851
C    3.0806028151   0.7314541603  -0.2838937763
C    4.1270533875  -1.0331745911   0.4969075948
C    2.1120230246   1.6859182551  -0.8879060231
C    6.2990938461   0.1146385532   0.9022569833
H   -3.6222423979   1.9523474709   1.0244386447
H   -1.0658200890   1.2444942571   0.9435249337
H   -5.0790454348  -0.2331507593   0.4989627445
H   -2.3177868699   1.1981987797   3.0698229951
H   -1.6865086669  -0.4373014249   2.9607221341
H   -3.9376107221  -1.2436710203   2.7175219937
H   -4.5098838037   0.4132150065   2.8316252232
H   -2.7798387516   0.7203140817  -1.6300776991
H   -4.4112883994  -2.8279232350  -0.4834520867
H   -1.3496081484   2.6378824243  -0.8989871407
H   -2.3416528514   3.0650063227  -2.2822679433
H   -2.7897665754   3.6250644815  -0.6742545415
H   -4.6143833079   2.1126390484  -2.6000088432
H   -5.2419737632   0.8506090979  -1.5540787462
H   -5.1674363359   2.5147062629  -0.9773194000
H   -0.2069486086  -3.3807537955  -1.0608868631
H   -2.4848318802  -4.1723277248  -1.2891768017
H    0.5478835163  -0.0611138048   0.4927075765
H    4.4690884759  -1.9908563224   0.8543939183
H    1.5015451980   1.2408304120  -1.6748181691
H    6.6622124732   1.1203923030   0.7168877328
H    6.3777756357  -0.1035644873   1.9651967330
H    6.9062767854  -0.5936193546   0.3428491832
*