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	hartrees
Energy at 0K	-376.162904
Energy at 298.15K
Nuclear repulsion energy	172.670434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3154	11.04
2	A'	1849	1775	78.45
3	A'	1377	1322	135.18
4	A'	1278	1227	214.07
5	A'	1186	1139	159.77
6	A'	945	907	60.17
7	A'	621	596	3.41
8	A'	481	462	2.29
9	A'	230	221	4.27
10	A"	777	746	39.12
11	A"	568	545	0.09
12	A"	307	295	4.67

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	-0.703	-0.693
F3	1.317	0.510
F4	-0.567	1.630
F5	-0.083	-1.886
H6	-1.783	-0.721

	C1	C2	F3	F4	F5	H6
C1		1.3268	1.3191	1.3250	2.3191	2.1236
C2	1.3268		2.3510	2.3270	1.3435	1.0808
F3	1.3191	2.3510		2.1913	2.7749	3.3356
F4	1.3250	2.3270	2.1913		3.5483	2.6467
F5	2.3191	1.3435	2.7749	3.5483		2.0605
H6	2.1236	1.0808	3.3356	2.6467	2.0605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.563	C1	C2	H6	123.452
C2	C1	F3	125.380	C2	C1	F4	122.680
F3	C1	F4	111.939	F5	C2	H6	115.985

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3PW91/6-31+G**

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	0.456
2	C	0.180
3	F	-0.272
4	F	-0.275
5	F	-0.277
6	H	0.188

	x	y	z	Total
	-1.377	0.150	0.000	1.385
CHELPG
AIM
ESP

	x	y	z
x	4.026	0.595	0.000
y	0.595	4.975	0.000
z	0.000	0.000	2.642

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)