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	hartrees
Energy at 0K	-84.334719
Energy at 298.15K	-84.336319
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3171	10.23
2	A'	1772	1727	54.19
3	A'	1320	1287	60.16
4	A'	1183	1153	168.48
5	A'	1100	1072	150.33
6	A'	864	842	56.25
7	A'	574	560	3.10
8	A'	436	425	4.32
9	A'	221	215	6.37
10	A"	794	774	44.19
11	A"	497	485	0.05
12	A"	285	278	9.39

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	-0.736	-0.689
F3	1.371	0.496
F4	-0.566	1.691
F5	-0.112	-1.937
H6	-1.817	-0.714

	C1	C2	F3	F4	F5	H6
C1		1.3421	1.3723	1.3798	2.3724	2.1489
C2	1.3421		2.4177	2.3865	1.3950	1.0815
F3	1.3723	2.4177		2.2759	2.8493	3.4102
F4	1.3798	2.3865	2.2759		3.6563	2.7110
F5	2.3724	1.3950	2.8493	3.6563		2.0987
H6	2.1489	1.0815	3.4102	2.7110	2.0987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.150	C1	C2	H6	124.570
C2	C1	F3	125.917	C2	C1	F4	122.508
F3	C1	F4	111.575	F5	C2	H6	115.280

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3LYP/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	0.357
2	C	-0.044
3	F	-0.140
4	F	-0.157
5	F	-0.197
6	H	0.180

	x	y	z	Total
	-1.887	-0.039	0.000	1.888
CHELPG
AIM
ESP

	x	y	z
x	3.720	0.582	0.000
y	0.582	4.753	0.000
z	0.000	0.000	1.975

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)