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	hartrees
Energy at 0K	-376.246691
Energy at 298.15K	-376.248397
HF Energy	-376.246691
Nuclear repulsion energy	171.898289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3148	8.67
2	A'	1766	1741	74.31
3	A'	1329	1310	91.38
4	A'	1223	1206	221.96
5	A'	1138	1122	183.81
6	A'	909	896	62.15
7	A'	611	602	2.80
8	A'	476	469	1.60
9	A'	235	231	4.13
10	A"	733	723	35.83
11	A"	540	532	0.07
12	A"	295	291	3.67

Atom	x (Å)	y (Å)
C1	0.000	0.435
C2	-0.703	-0.695
F3	1.324	0.512
F4	-0.572	1.637
F5	-0.085	-1.895
H6	-1.785	-0.721

	C1	C2	F3	F4	F5	H6
C1		1.3312	1.3258	1.3308	2.3320	2.1272
C2	1.3312		2.3586	2.3359	1.3496	1.0828
F3	1.3258	2.3586		2.2044	2.7887	3.3445
F4	1.3308	2.3359	2.2044		3.5655	2.6520
F5	2.3320	1.3496	2.7887	3.5655		2.0662
H6	2.1272	1.0828	3.3445	2.6520	2.0662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.886	C1	C2	H6	123.241
C2	C1	F3	125.168	C2	C1	F4	122.681
F3	C1	F4	112.150	F5	C2	H6	115.873

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B97D3/TZVP

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	0.319
2	C	-0.021
3	F	-0.124
4	F	-0.135
5	F	-0.166
6	H	0.127

	x	y	z	Total
	-1.276	0.165	0.000	1.286
CHELPG
AIM
ESP

	x	y	z
x	3.940	0.565	0.000
y	0.565	4.900	0.000
z	0.000	0.000	2.513

<r²>	104.917
(<r²>)^1/2	10.243

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)