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	hartrees
Energy at 0K	-376.274986
Energy at 298.15K	-376.276738
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3139	7.24
2	A'	1851	1778	67.23
3	A'	1392	1338	113.40
4	A'	1296	1245	178.66
5	A'	1191	1145	134.31
6	A'	946	909	55.83
7	A'	620	596	2.81
8	A'	481	462	1.75
9	A'	227	218	4.15
10	A"	775	745	27.05
11	A"	558	536	1.28
12	A"	307	295	4.16

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	-0.704	-0.690
F3	1.320	0.502
F4	-0.565	1.633
F5	-0.086	-1.885
H6	-1.785	-0.710

	C1	C2	F3	F4	F5	H6
C1		1.3265	1.3216	1.3259	2.3207	2.1198
C2	1.3265		2.3494	2.3275	1.3453	1.0808
F3	1.3216	2.3494		2.1984	2.7710	3.3330
F4	1.3259	2.3275	2.1984		3.5508	2.6411
F5	2.3207	1.3453	2.7710	3.5508		2.0657
H6	2.1198	1.0808	3.3330	2.6411	2.0657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.586	C1	C2	H6	123.097
C2	C1	F3	125.045	C2	C1	F4	122.685
F3	C1	F4	112.270	F5	C2	H6	116.317

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3LYP/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	0.509
2	C	0.099
3	F	-0.230
4	F	-0.239
5	F	-0.266
6	H	0.125

	x	y	z	Total
	-1.143	0.207	0.000	1.161
CHELPG
AIM
ESP

	x	y	z
x	3.524	0.592	0.000
y	0.592	4.360	0.000
z	0.000	0.000	1.824

<r²>	103.591
(<r²>)^1/2	10.178

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)