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	hartrees
Energy at 0K	-376.329706
Energy at 298.15K	-376.331554
HF Energy	-376.329706
Nuclear repulsion energy	173.925458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3130	10.44
2	A'	1858	1778	85.15
3	A'	1384	1324	139.65
4	A'	1285	1229	211.90
5	A'	1193	1141	147.36
6	A'	958	917	59.60
7	A'	636	608	3.41
8	A'	495	473	1.63
9	A'	237	227	3.76
10	A"	788	754	35.26
11	A"	599	573	0.11
12	A"	314	300	3.83

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	-0.706	-0.681
F3	1.313	0.487
F4	-0.539	1.630
F5	-0.105	-1.872
H6	-1.784	-0.708

	C1	C2	F3	F4	F5	H6
C1		1.3175	1.3138	1.3145	2.3059	2.1165
C2	1.3175		2.3322	2.3173	1.3348	1.0777
F3	1.3138	2.3322		2.1760	2.7520	3.3188
F4	1.3145	2.3173	2.1760		3.5294	2.6491
F5	2.3059	1.3348	2.7520	3.5294		2.0433
H6	2.1165	1.0777	3.3188	2.6491	2.0433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.782	C1	C2	H6	123.862
C2	C1	F3	124.840	C2	C1	F4	123.387
F3	C1	F4	111.773	F5	C2	H6	115.356

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: wB97X-D/aug-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	0.663
2	C	-0.220
3	F	-0.234
4	F	-0.279
5	F	-0.394
6	H	0.463

	x	y	z	Total
	-1.233	0.153	0.000	1.242
CHELPG
AIM
ESP

	x	y	z
x	4.391	0.547	0.000
y	0.547	5.211	0.000
z	0.000	0.000	3.177

<r²>	102.821
(<r²>)^1/2	10.140

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)