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	hartrees
Energy at 0K	-84.414135
Energy at 298.15K	-84.415782
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3143	10.99
2	A'	1837	1774	75.61
3	A'	1355	1309	148.55
4	A'	1261	1218	193.62
5	A'	1168	1128	158.40
6	A'	929	897	63.45
7	A'	606	586	2.84
8	A'	470	454	1.98
9	A'	224	216	4.57
10	A"	733	707	45.50
11	A"	514	497	0.80
12	A"	295	285	3.99

Atom	x (Å)	y (Å)
C1	0.000	0.442
C2	-0.714	-0.713
F3	1.329	0.525
F4	-0.579	1.647
F5	-0.074	-1.908
H6	-1.804	-0.751

	C1	C2	F3	F4	F5	H6
C1		1.3575	1.3315	1.3371	2.3509	2.1625
C2	1.3575		2.3881	2.3640	1.3552	1.0909
F3	1.3315	2.3881		2.2135	2.8080	3.3824
F4	1.3371	2.3640	2.2135		3.5907	2.6930
F5	2.3509	1.3552	2.8080	3.5907		2.0808
H6	2.1625	1.0909	3.3824	2.6930	2.0808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.141	C1	C2	H6	123.707
C2	C1	F3	125.268	C2	C1	F4	122.646
F3	C1	F4	112.087	F5	C2	H6	116.152

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3LYP/CEP-31G*

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	0.272
2	C	-0.174
3	F	-0.090
4	F	-0.102
5	F	-0.146
6	H	0.240

	x	y	z	Total
	-1.427	0.156	0.000	1.435
CHELPG
AIM
ESP

	x	y	z
x	3.594	0.698	0.000
y	0.698	4.712	0.000
z	0.000	0.000	2.140

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)