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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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HB01A HOH...OH2 DIMER
HB01B HOH...HOH CYCLIC DIMER, CS
HB02A HOH...OHCH3 DIMER
HB02B CH3OH...OH2 DIMER
HB03A CH3OH...OHCH3 METHANOL DIMER
HB04A C6H5OH...OH2 DIMER
HB04B HOH...OHC6H5 DIMER
HB05A T-NMA...OH2 DIMER
HB05B HOH...T-NMA DIMER
HB06A FORMAMIDE DIMER, CYCLIC
HB06B FORMAMIDE DIMER, 1-HB
HB07A H2NH...HNH2, BIFURCATED DIMER
HB07B H2NH...NH3 DIMER, NH...N = 179 deg
HB08A HOH...NH3 DIMER
HB09A HOH...NH2CH3 DIMER
HB10A H3CCOOH...HOOCCH3 CYCLIC DIMER
HB11A H2CCOOH...OHH DIMER
HB12A IMIDAZOLE...OH2 DIMER
HB12B HOH...IMIDAZOLE DIMER
HB13A INDOLE...OH2 DIMER
HB14A PYRROLE...OH2 DIMER
HB15A METHYL AMMONIUM... OH2 DIMER
HB16A OHH...(-)O2CCH3 DIMER, BIDENTATE
HB17A HOH...PYRIDINE DIMER
HB18A HOH...FURAN DIMER
HB19A HOH...THIOPHENE DIMER
HB20A HOH...PYRIDINE N-OXIDE DIMER
HB21A HOH...METHYL FORMATE (=O) DIMER
HB21B HOH...METHYL FORMATE (-O-) DIM
HB22A HOH...FORMALDEHYDE DIMER
HB23A HOH...ACETONE DIMER
HB24A HOH...FCH3 DIMER
HB25A FORMAMIDINE...WATER CYCLIC DIMER
HB26A HOH...FORMALDEHYDEIMIME DIMER
HB27A GUANIDINE...OHH DIMER
HB28A GUANIDINIUM CATION...OHH DIMER
HB29A ANILINE...OHH DIMER
HB29B HOH...ANILINE DIMER
HB30A HOH...O(CH3)2 DIMER
HB31A SHH...OHH DIMER
HB32A HOH...S(CH3)2 DIMER
HB33A OHH...CH3SSCH3 CYCLIC DIMER
HB34A HOH...SHC6H5 DIMER
HB35A T-NMA dimer, parallel
HB35B T-NMA ANTIPARALEL STACKED DIMER
HB36A HOH...N-MEFORMAMIDE DIMER
HB36B N-MEFORMAMIDE...OH2 DIMER
HB37A HSH...SH2 DIMER
HB38A HOH...SH2 DIMER
HB39A CH3COOH...NH3 DIMER, BIDENTATE
HB40A IMIDAZOLIUM...OH2 DIMER
HB41A FORMAMIDINIUM...OH2 DIMER
HB41B FORMAMIDINIUM...OH2 DIMER, CENTRAL (2 HB)
HB42A FORMALDEHYDEIMINIUM...OH2 DIMER
HB43A VINYLAMINE...OH2 DIMER
HB44A T-VINYL ALCOHOL...OH2 DIMER
HB44B HOH...T-VINYL ALCOHOL DIMER
HB45A METHYLETHYLAMINE OXIDE...OHH CYCLIC DIMER
HB46A METHYLETHYLHYDROXYLAMINE...OH2 CYCLIC
HB47A T,T-OXALIC ACID...OHH CYCLIC DIMER
HB47B CIS,CIS-OXALIC ACID...OHH CYCLIC DIMER
HB47C OHH...T,T-OXALOC ACID CYCLIC DIMER
HB48A HOH...SKEW-METHYL VINYL ETHER DIMER
HB49A HOH...CHLOROETHANE DIMER
HB50A H2NH...O(CH3)2 DIMER
HB51A T-N-OH,N-Meacetamide...OH2 dimer
HB51B HOH...T-N-OH,N-Meacetamide dimer
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