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	hartrees
Energy at 0K	-376.188684
Energy at 298.15K	-376.190361
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3183	6.55
2	A'	1836	1766	48.65
3	A'	1366	1314	58.97
4	A'	1247	1200	140.70
5	A'	1141	1098	121.73
6	A'	902	867	48.59
7	A'	590	568	3.21
8	A'	453	435	3.58
9	A'	225	216	5.86
10	A"	827	796	35.93
11	A"	535	515	0.55
12	A"	295	284	8.93

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	-0.724	-0.680
F3	1.359	0.491
F4	-0.567	1.673
F5	-0.109	-1.919
H6	-1.802	-0.698

	C1	C2	F3	F4	F5	H6
C1		1.3258	1.3602	1.3658	2.3520	2.1258
C2	1.3258		2.3895	2.3586	1.3829	1.0779
F3	1.3602	2.3895		2.2596	2.8218	3.3767
F4	1.3658	2.3586	2.2596		3.6211	2.6733
F5	2.3520	1.3829	2.8218	3.6211		2.0870
H6	2.1258	1.0779	3.3767	2.6733	2.0870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.513	C1	C2	H6	124.028
C2	C1	F3	125.635	C2	C1	F4	122.388
F3	C1	F4	111.976	F5	C2	H6	115.459

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3LYP/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	0.525
2	C	0.125
3	F	-0.264
4	F	-0.275
5	F	-0.295
6	H	0.184

	x	y	z	Total
	-1.634	0.030	0.000	1.634
CHELPG
AIM
ESP

	x	y	z
x	3.380	0.527	0.000
y	0.527	4.295	0.000
z	0.000	0.000	1.380

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)