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	hartrees
Energy at 0K	-373.859458
Energy at 298.15K	-373.861150
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3165	4.91
2	A'	1776	1760	44.29
3	A'	1370	1358	54.60
4	A'	1265	1254	124.25
5	A'	1161	1150	92.28
6	A'	898	890	32.25
7	A'	589	583	1.72
8	A'	451	447	1.94
9	A'	216	214	4.01
10	A"	818	810	39.53
11	A"	568	563	0.36
12	A"	296	293	3.60

Atom	x (Å)	y (Å)
C1	0.000	0.438
C2	-0.695	-0.701
F3	1.354	0.533
F4	-0.604	1.655
F5	-0.089	-1.937
H6	-1.782	-0.681

	C1	C2	F3	F4	F5	H6
C1		1.3340	1.3570	1.3589	2.3766	2.1042
C2	1.3340		2.3912	2.3579	1.3765	1.0875
F3	1.3570	2.3912		2.2566	2.8602	3.3624
F4	1.3589	2.3579	2.2566		3.6289	2.6166
F5	2.3766	1.3765	2.8602	3.6289		2.1079
H6	2.1042	1.0875	3.3624	2.6166	2.1079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	122.511	C1	C2	H6	120.341
C2	C1	F3	125.388	C2	C1	F4	122.236
F3	C1	F4	112.376	F5	C2	H6	117.148

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: PBEPBE/3-21G

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	0.457
2	C	-0.016
3	F	-0.220
4	F	-0.226
5	F	-0.226
6	H	0.231

	x	y	z	Total
	-1.093	0.138	0.000	1.102
CHELPG
AIM
ESP

	x	y	z
x	3.270	0.498	0.000
y	0.498	4.198	0.000
z	0.000	0.000	1.134

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)