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	hartrees
Energy at 0K	-374.146903
Energy at 298.15K	-374.148723
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3163	4.32
2	A'	1874	1789	52.63
3	A'	1430	1365	72.79
4	A'	1324	1263	121.63
5	A'	1204	1150	105.38
6	A'	941	898	38.65
7	A'	613	585	2.24
8	A'	470	449	2.77
9	A'	225	215	5.21
10	A"	882	842	42.42
11	A"	606	579	0.85
12	A"	313	298	6.39

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	-0.692	-0.690
F3	1.339	0.523
F4	-0.590	1.640
F5	-0.091	-1.915
H6	-1.768	-0.674

	C1	C2	F3	F4	F5	H6
C1		1.3177	1.3424	1.3448	2.3485	2.0854
C2	1.3177		2.3661	2.3320	1.3648	1.0763
F3	1.3424	2.3661		2.2292	2.8272	3.3303
F4	1.3448	2.3320	2.2292		3.5900	2.5965
F5	2.3485	1.3648	2.8272	3.5900		2.0866
H6	2.0854	1.0763	3.3303	2.5965	2.0866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	122.192	C1	C2	H6	120.836
C2	C1	F3	125.610	C2	C1	F4	122.285
F3	C1	F4	112.105	F5	C2	H6	116.972

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: mPW1PW91/3-21G

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	0.543
2	C	0.010
3	F	-0.266
4	F	-0.273
5	F	-0.272
6	H	0.258

	x	y	z	Total
	-1.326	0.119	0.000	1.332
CHELPG
AIM
ESP

	x	y	z
x	3.080	0.543	0.000
y	0.543	3.959	0.000
z	0.000	0.000	1.093

<r²>	105.861
(<r²>)^1/2	10.289

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)