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	hartrees
Energy at 0K	-376.168898
Energy at 298.15K	-376.170688
HF Energy	-376.168898
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3132	6.67
2	A'	1887	1790	73.40
3	A'	1419	1346	138.41
4	A'	1315	1247	185.75
5	A'	1208	1146	127.81
6	A'	964	914	58.00
7	A'	630	598	3.06
8	A'	489	464	1.78
9	A'	231	219	4.09
10	A"	788	748	31.06
11	A"	578	548	1.30
12	A"	312	296	4.66

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	-0.707	-0.684
F3	1.317	0.488
F4	-0.548	1.634
F5	-0.099	-1.876
H6	-1.788	-0.714

	C1	C2	F3	F4	F5	H6
C1		1.3233	1.3185	1.3189	2.3130	2.1254
C2	1.3233		2.3394	2.3234	1.3386	1.0816
F3	1.3185	2.3394		2.1896	2.7563	3.3303
F4	1.3189	2.3234	2.1896		3.5390	2.6552
F5	2.3130	1.3386	2.7563	3.5390		2.0507
H6	2.1254	1.0816	3.3303	2.6552	2.0507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.670	C1	C2	H6	123.892
C2	C1	F3	124.634	C2	C1	F4	123.125
F3	C1	F4	112.242	F5	C2	H6	115.438

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: wB97X-D/6-31G*

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	0.541
2	C	0.015
3	F	-0.238
4	F	-0.247
5	F	-0.269
6	H	0.198

	x	y	z	Total
	-1.189	0.216	0.000	1.209
CHELPG
AIM
ESP

	x	y	z
x	3.467	0.608	0.000
y	0.608	4.308	0.000
z	0.000	0.000	1.820

<r²>	102.874
(<r²>)^1/2	10.143

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)