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	hartrees
Energy at 0K	-375.903266
Energy at 298.15K	-375.904897
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3145	6.98
2	A'	1788	1762	59.28
3	A'	1352	1332	110.67
4	A'	1261	1243	179.55
5	A'	1165	1148	111.87
6	A'	919	906	48.90
7	A'	602	593	2.65
8	A'	466	459	1.41
9	A'	217	214	3.30
10	A"	722	711	28.11
11	A"	524	516	1.32
12	A"	295	291	2.60

Atom	x (Å)	y (Å)
C1	0.000	0.439
C2	-0.706	-0.699
F3	1.328	0.509
F4	-0.574	1.642
F5	-0.083	-1.898
H6	-1.796	-0.722

	C1	C2	F3	F4	F5	H6
C1		1.3388	1.3300	1.3331	2.3380	2.1385
C2	1.3388		2.3655	2.3443	1.3510	1.0904
F3	1.3300	2.3655		2.2144	2.7899	3.3579
F4	1.3331	2.3443	2.2144		3.5735	2.6607
F5	2.3380	1.3510	2.7899	3.5735		2.0776
H6	2.1385	1.0904	3.3579	2.6607	2.0776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.734	C1	C2	H6	123.036
C2	C1	F3	124.838	C2	C1	F4	122.650
F3	C1	F4	112.512	F5	C2	H6	116.230

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: PBEPBE/6-31G*

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	0.464
2	C	0.006
3	F	-0.201
4	F	-0.209
5	F	-0.229
6	H	0.169

	x	y	z	Total
	-1.016	0.215	0.000	1.039
CHELPG
AIM
ESP

	x	y	z
x	3.650	0.561	0.000
y	0.561	4.535	0.000
z	0.000	0.000	1.859

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)