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ff_evaluation_suite
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ANNOUNCE,
README,
conf-e_147.mp4sdq_tzp,
conf-e_19.expt,
conf-e_19.mmd,
conf-e_19.mol2,
conf-e_37-147.energies,
conf-e_37-147.fc,
conf-e_37-147.mmd,
conf-e_37-147.mol2,
conf-e_37.expt,
conf-e_37.gvb-lmp2,
conf-e_37.mp4sdq_tzp,
conf-e_tables.ps,
conf_e_19.titles,
hbond.energies,
hbond.interactions,
hbond_dimers.fc,
hbond_dimers.mmd,
hbond_dimers.mol2,
hbond_dimers.titles,
hbond_monomers.fc,
hbond_monomers.mmd,
hbond_monomers.mol2,
hbond_monomers.titles,
hbond_table.ps
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AR26A 1,3,5-trineopentyl,2,4,6-tribromobenzene, twosym
AR26B 1,3,5-trineopentyl,2,4,6-tribromobenzene, allsym
AR27A phenyl cyclohexane, axial
AR27B phenyl cyclohexane, equatorial
HL11A 1,3-dichloropropane, Cl-C-C-C both gauche(+)
HL11B 1,3-dichloropropane, one Cl-C-C-C gauche, one anti
HL11C 1,3-dichloropropane, both Cl-C-C-C anti
HL12A Fluorocyclohexane, axial
HL12B Fluorocyclohexane, equatorial
HL13A Chlorocyclohexane, axial
HL13B Chlorocyclohexane, equatorial
HL14A Bromocyclohexane, axial
HL14B Bromocyclohexane, equatorial
HL15A 1,2-difluorocyclohexane, diaxial
HL15B 1,2-difluorocyclohexane, diequatorial
HL16B 1,2-dichlorocyclohexane, diaxial
HL16A 1,2-dichlorocyclohexane, diequatorial
HL17B 1,2-dibromocyclohexane, diaxial
HL17A 1,2-dibromocyclohexane, diequatorial
HL18B 1,4-difluorocyclohexane, diaxial
HL18A 1,4-difluorocyclohexane, diequatorial
HL19B 1,4-dichlorocyclohexane, diaxial
HL19A 1,4-dichlorocyclohexane, diequatorual
HL20B 1,4-dibromocyclohexane, diaxial
HL20A 1,4-dibromocyclohexane, diequatorial
NH11A ETHYLAMINE, C-C-N-lp gauche
NH11B ETHYLAMINE, C-C-N-LP ANTI
NH24A 2-methylpiperidine, Me axial, N-H equatorial
NH24B 2-methylpiperidine, Me equatorial, N-H equatorial
NH25A 3-methylpiperidine, Me axial, N-H equatorial
NH25B 3-methylpiperidine, Me equatorial, N-H equatorial
NH26A 4-methylpiperidine, Me axial, N-H equatorial
NH26B 4-methylpiperidine, Me equatorial, N-H equatorial
NH27A N,N-dimethylcyclohexane, axial Cs
NH27B N,N-dimethylcyclohexane, equatorial C1
OH03A ANTI-N-PROPANOL (O-C G+; C-C A)
OH03C GAUCHE-N-PROPANOL (O-C G+, C-C G+)
RA17A 1,2-dimethylcyclohexane, diaxial
RA17B 1,2-dimethylcyclohexane, diequatorial
RA18A 1,3-dimethylcyclohexane, diaxial
RA18B 1,3-dimethylcyclohexane, diequatorial
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