! 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    3.7884963156   2.0266742725   1.4173667045
F   -2.4148614608  -2.4127255626  -1.2915119817
F   -4.3644700789  -1.4732957339  -1.0035411189
O   -2.5357601512   0.4525944330  -2.4470147788
N   -0.4649142251   1.2011820512  -1.9973515333
N   -1.8644003495   0.3580071386   1.9834608084
N   -2.5565532108  -0.7211023106   1.6457771870
C    2.8380454666  -0.7907967555   0.9297516805
C    2.3064530867  -1.8131519468  -0.0903723383
C    1.0697674965  -1.1904851676  -0.7560203503
C    2.3843157016   0.5045142320   0.2915649987
C    1.3391983992   0.2890615348  -0.6069093401
C    2.1182586493  -0.9435181173   2.2752566266
C    4.3439048590  -0.9373604426   1.1210580604
C    0.8807689983  -1.6942402044  -2.1815120119
C    0.6775129979   1.3699492935  -1.1827768721
C    2.7946388393   1.7974071767   0.5420168735
C    1.1377654031   2.6604687571  -0.9344562664
C    2.2077722263   2.8819467496  -0.0838424572
C   -1.6541957810   0.6657006358  -1.6298244004
C   -1.8498986334   0.3519371261  -0.2018628608
C   -2.5722545819  -0.7370198567   0.3298051252
C   -1.4133932379   1.0308095851   0.9172548162
C   -3.2406979812  -1.8737346357  -0.3517394037
C   -1.6821099109   0.7100604414   3.3733253825
H    2.0909840916  -2.7804135980   0.3679875178
H    3.0708263633  -1.9835248322  -0.8559692048
H    0.1752102002  -1.4487630972  -0.1786487180
H    2.3872270605  -0.1412445275   2.9649684788
H    1.0321193288  -0.9266467406   2.1571765893
H    2.3833581955  -1.8908967224   2.7497090416
H    4.8914784709  -0.6999688296   0.2072331872
H    4.7291637434  -0.3052411355   1.9206087465
H    4.5823414732  -1.9695720308   1.3866764783
H   -0.0323432003  -1.3339862358  -2.6501862622
H    0.8316493502  -2.7845441471  -2.1838331699
H    1.7202787441  -1.4009266501  -2.8145141573
H    0.6369448947   3.5030518789  -1.3941327690
H    2.5601447246   3.8857698259   0.1147828027
H   -0.3999538464   1.4869870129  -2.9654649659
H   -0.8425853556   1.9387496492   1.0256345134
H   -3.5156024370  -2.6548121865   0.3587527303
H   -1.9395026691  -0.1498536069   3.9837582644
H   -0.6446519319   0.9785833992   3.5595233191
H   -2.3217186256   1.5476812687   3.6465644784
*