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	hartrees
Energy at 0K	-376.252659
Energy at 298.15K	-376.254318
Nuclear repulsion energy	170.400917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3165	6.61
2	A'	1758	1761	63.15
3	A'	1311	1313	90.28
4	A'	1214	1216	187.98
5	A'	1127	1129	137.89
6	A'	894	896	55.67
7	A'	595	596	2.45
8	A'	463	463	1.38
9	A'	221	221	3.77
10	A"	735	736	26.06
11	A"	542	543	0.31
12	A"	296	296	3.04

Atom	x (Å)	y (Å)
C1	0.000	0.438
C2	-0.706	-0.704
F3	1.335	0.522
F4	-0.579	1.648
F5	-0.085	-1.914
H6	-1.802	-0.720

	C1	C2	F3	F4	F5	H6
C1		1.3426	1.3379	1.3419	2.3533	2.1421
C2	1.3426		2.3812	2.3557	1.3599	1.0962
F3	1.3379	2.3812		2.2213	2.8197	3.3744
F4	1.3419	2.3557	2.2213		3.5962	2.6654
F5	2.3533	1.3599	2.8197	3.5962		2.0913
H6	2.1421	1.0962	3.3744	2.6654	2.0913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.098	C1	C2	H6	122.569
C2	C1	F3	125.332	C2	C1	F4	122.692
F3	C1	F4	111.976	F5	C2	H6	116.332

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: BLYP/cc-pVDZ

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	0.210
2	C	0.120
3	F	-0.099
4	F	-0.107
5	F	-0.139
6	H	0.015

	x	y	z	Total
	-1.031	0.176	0.000	1.046
CHELPG
AIM
ESP

	x	y	z
x	3.689	0.564	0.000
y	0.564	4.540	0.000
z	0.000	0.000	1.807

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)