! 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   -0.8172593796   0.9983398765  -1.9050483173
F    5.6203136037  -0.3622841503  -0.1824058431
O   -0.2101958550  -1.1060197138   1.7444960455
N   -1.9715069813  -1.5021983286  -0.6159384380
N   -2.6609827127  -1.6772345186   0.5159394735
N   -4.0563288393  -1.3523968773  -1.1946495447
C    0.0216679245  -0.5259492225   0.4865961229
C   -0.5262047813  -1.4851390148  -0.5974636904
C    1.5356481090  -0.4511323688   0.3106247158
C   -0.6234116933   0.8673866122   0.4538719533
C    2.3588229755  -1.3312036621   1.0101144208
C    2.1306622980   0.4476823780  -0.5711711836
C   -1.0208512830   1.5473378775  -0.6892891282
C   -0.8371423374   1.5332708599   1.6623204423
C    3.7369246169  -1.3075772209   0.8501210698
C    3.5054027673   0.4820456911  -0.7467041966
C   -1.6199654580   2.7923127275  -0.6677964569
C   -1.4263427253   2.7857271610   1.7172716156
C   -2.8174690851  -1.3060874804  -1.6272965997
C    4.2881323261  -0.3968430568  -0.0262888083
C   -1.8283332618   3.4169966082   0.5496685361
C   -3.9059356480  -1.5754523318   0.1226202705
H   -0.1776038869  -1.2380350010  -1.5949526566
H   -0.1586676060  -2.4871126481  -0.3685543763
H    1.9361019193  -2.0495510706   1.6973219999
H    1.5409559247   1.1522368670  -1.1394456969
H   -0.5381456908   1.0562465025   2.5847602568
H   -1.1510249784  -1.3465623998   1.7921193068
H    4.3670900054  -1.9902392232   1.4051182039
H    3.9555403177   1.1890975957  -1.4311646295
H   -1.9157723094   3.2597740014  -1.5980940471
H   -1.5759619278   3.2637209910   2.6761702801
H   -2.4957827161  -1.1479322807  -2.6443002695
H   -2.2983556174   4.3908083286   0.5812947292
H   -4.7309471314  -1.6680047393   0.8115243036
*