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	hartrees
Energy at 0K	-82.975104
Energy at 298.15K	-82.977014
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3451	3149	14.59
2	A'	1970	1797	73.44
3	A'	1452	1325	93.96
4	A'	1324	1208	176.61
5	A'	1208	1102	189.99
6	A'	949	866	72.06
7	A'	633	578	4.15
8	A'	483	441	6.54
9	A'	242	221	8.75
10	A"	937	855	45.50
11	A"	595	543	0.27
12	A"	326	298	15.26

Atom	x (Å)	y (Å)
C1	0.000	0.424
C2	-0.721	-0.679
F3	1.342	0.495
F4	-0.551	1.656
F5	-0.111	-1.903
H6	-1.788	-0.697

	C1	C2	F3	F4	F5	H6
C1		1.3176	1.3438	1.3500	2.3298	2.1106
C2	1.3176		2.3733	2.3413	1.3677	1.0676
F3	1.3438	2.3733		2.2214	2.8037	3.3494
F4	1.3500	2.3413	2.2214		3.5865	2.6585
F5	2.3298	1.3677	2.8037	3.5865		2.0658
H6	2.1106	1.0676	3.3494	2.6585	2.0658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.352	C1	C2	H6	124.145
C2	C1	F3	126.183	C2	C1	F4	122.719
F3	C1	F4	111.097	F5	C2	H6	115.503

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: HF/CEP-121G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.503
2	C	0.045
3	F	-0.227
4	F	-0.244
5	F	-0.284
6	H	0.207

	x	y	z	Total
	-2.160	-0.042	0.000	2.160
CHELPG
AIM
ESP

	x	y	z
x	3.332	0.692	0.000
y	0.692	4.281	0.000
z	0.000	0.000	1.879

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)