! 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    0.4548929349   1.5707948055   2.1268835080
F    5.4395125599  -0.3668164424  -0.7931453171
O   -0.2701465545  -0.9753534644   1.6257371306
N   -2.1386372098  -1.6452784037  -0.5463301521
N   -2.7454644496  -1.6032177955   0.6425064822
N   -4.2557325549  -1.8339757058  -0.9824436720
C   -0.0821501014  -0.5150759422   0.3148079651
C   -0.6964897273  -1.5370774177  -0.6660703729
C    1.4156545734  -0.4816350456   0.0329880108
C   -0.6471611886   0.8943813991   0.1514642530
C    2.3352722383  -1.0234110379   0.9232369005
C    1.8857283482   0.0926389815  -1.1459813514
C   -0.3530533860   1.8693428652   1.1011387476
C   -1.4220448804   1.3015477395  -0.9316171291
C    3.6965435574  -0.9877742971   0.6499154863
C    3.2392096779   0.1313848735  -1.4379180013
C   -0.8318504186   3.1617206653   1.0262308142
C   -1.9098900998   2.5969162331  -1.0377520107
C   -3.0528199185  -1.7832984992  -1.5063162674
C    4.1247509318  -0.4091269648  -0.5261043368
C   -1.6256433866   3.5261282570  -0.0508077510
C   -4.0131886059  -1.7155286683   0.3340401834
H   -0.4735774895  -1.2996107268  -1.7049378838
H   -0.2458260410  -2.5086069640  -0.4545032517
H    2.0070660807  -1.4778971365   1.8465691031
H    1.1968746472   0.5324864431  -1.8570566759
H   -1.6515732165   0.6112554722  -1.7307515888
H   -1.2206908497  -1.1463000587   1.7405253301
H    4.4099882637  -1.4021638881   1.3502970733
H    3.5958896867   0.5823247333  -2.3546101067
H   -0.5754249359   3.8739138742   1.8000353803
H   -2.5121047903   2.8726394585  -1.8928031176
H   -2.8006884965  -1.8413114398  -2.5537667728
H   -2.0070850942   4.5362029101  -0.1185247224
H   -4.7851783227  -1.7084086652   1.0873701681
*