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	hartrees
Energy at 0K	-374.730259
Energy at 298.15K	-374.732325
HF Energy	-374.730259
Nuclear repulsion energy	176.212744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3091	10.91
2	A'	2007	1816	112.67
3	A'	1516	1371	151.48
4	A'	1405	1271	211.30
5	A'	1281	1159	206.29
6	A'	1033	934	75.00
7	A'	689	623	4.02
8	A'	536	485	2.14
9	A'	256	231	4.96
10	A"	912	825	38.54
11	A"	678	613	0.00
12	A"	349	316	5.42

Atom	x (Å)	y (Å)
C1	0.000	0.425
C2	-0.689	-0.681
F3	1.287	0.504
F4	-0.545	1.599
F5	-0.087	-1.854
H6	-1.756	-0.698

	C1	C2	F3	F4	F5	H6
C1		1.3032	1.2895	1.2943	2.2800	2.0845
C2	1.3032		2.3044	2.2843	1.3180	1.0670
F3	1.2895	2.3044		2.1346	2.7286	3.2720
F4	1.2943	2.2843	2.1346		3.4825	2.5964
F5	2.2800	1.3180	2.7286	3.4825		2.0299
H6	2.0845	1.0670	3.2720	2.5964	2.0299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.882	C1	C2	H6	122.843
C2	C1	F3	125.438	C2	C1	F4	123.152
F3	C1	F4	111.409	F5	C2	H6	116.275

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: HF/daug-cc-pVTZ

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	1.573
2	C	-0.638
3	F	-0.609
4	F	-0.687
5	F	-0.942
6	H	1.302

	x	y	z	Total
	-1.356	0.183	0.000	1.368
CHELPG
AIM
ESP

	x	y	z
x	3.982	0.605	0.000
y	0.605	4.711	0.000
z	0.000	0.000	3.006

<r²>	100.757
(<r²>)^1/2	10.038

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)