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	hartrees
Energy at 0K	-376.160526
Energy at 298.15K
Nuclear repulsion energy	173.842511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3127	7.95
2	A'	1855	1783	69.49
3	A'	1399	1345	127.36
4	A'	1305	1254	179.61
5	A'	1208	1161	111.89
6	A'	958	921	49.36
7	A'	632	608	3.11
8	A'	491	472	1.56
9	A'	226	217	3.70
10	A"	778	748	28.44
11	A"	595	572	0.70
12	A"	314	302	3.22

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	-0.692	-0.696
F3	1.305	0.517
F4	-0.569	1.615
F5	-0.078	-1.877
H6	-1.773	-0.715

	C1	C2	F3	F4	F5	H6
C1		1.3244	1.3077	1.3114	2.3117	2.1124
C2	1.3244		2.3362	2.3144	1.3308	1.0813
F3	1.3077	2.3362		2.1719	2.7646	3.3153
F4	1.3114	2.3144	2.1719		3.5263	2.6230
F5	2.3117	1.3308	2.7646	3.5263		2.0546
H6	2.1124	1.0813	3.3153	2.6230	2.0546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.061	C1	C2	H6	122.507
C2	C1	F3	125.140	C2	C1	F4	122.812
F3	C1	F4	112.048	F5	C2	H6	116.432

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3PW91/6-31G(2df,p)

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	0.258
2	C	-0.236
3	F	-0.044
4	F	-0.058
5	F	-0.083
6	H	0.163

	x	y	z	Total
	-1.063	0.209	0.000	1.083
CHELPG
AIM
ESP

	x	y	z
x	3.795	0.568	0.000
y	0.568	4.638	0.000
z	0.000	0.000	2.272

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)