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	hartrees
Energy at 0K	-84.427717
Energy at 298.15K	-84.429410
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3143	8.96
2	A'	1799	1744	77.09
3	A'	1359	1318	123.14
4	A'	1260	1221	201.77
5	A'	1165	1129	171.94
6	A'	924	896	61.40
7	A'	611	592	2.90
8	A'	472	458	1.97
9	A'	228	222	4.59
10	A"	748	725	38.11
11	A"	530	514	0.27
12	A"	298	289	4.30

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	-0.711	-0.697
F3	1.329	0.511
F4	-0.567	1.645
F5	-0.088	-1.901
H6	-1.795	-0.725

	C1	C2	F3	F4	F5	H6
C1		1.3360	1.3313	1.3370	2.3375	2.1368
C2	1.3360		2.3710	2.3462	1.3563	1.0842
F3	1.3313	2.3710		2.2093	2.7982	3.3597
F4	1.3370	2.3462	2.2093		3.5788	2.6692
F5	2.3375	1.3563	2.7982	3.5788		2.0730
H6	2.1368	1.0842	3.3597	2.6692	2.0730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.498	C1	C2	H6	123.652
C2	C1	F3	125.471	C2	C1	F4	122.742
F3	C1	F4	111.786	F5	C2	H6	115.850

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	0.481
2	C	-0.084
3	F	-0.175
4	F	-0.184
5	F	-0.221
6	H	0.182

	x	y	z	Total
	-1.361	0.145	0.000	1.369
CHELPG
AIM
ESP

	x	y	z
x	3.807	0.634	0.000
y	0.634	4.742	0.000
z	0.000	0.000	2.378

<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)