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	hartrees
Energy at 0K	-374.623973
Energy at 298.15K	-374.626023
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3444	3136	12.05
2	A'	2020	1840	107.05
3	A'	1493	1359	145.47
4	A'	1380	1256	195.32
5	A'	1258	1146	212.49
6	A'	1015	924	78.43
7	A'	675	615	3.85
8	A'	524	477	2.49
9	A'	255	232	5.08
10	A"	905	824	38.65
11	A"	670	610	0.01
12	A"	346	315	6.13

Atom	x (Å)	y (Å)
C1	0.000	0.426
C2	-0.698	-0.681
F3	1.297	0.499
F4	-0.543	1.612
F5	-0.092	-1.863
H6	-1.772	-0.699

	C1	C2	F3	F4	F5	H6
C1		1.3083	1.2991	1.3043	2.2906	2.0987
C2	1.3083		2.3176	2.2977	1.3285	1.0738
F3	1.2991	2.3176		2.1503	2.7400	3.2943
F4	1.3043	2.2977	2.1503		3.5039	2.6175
F5	2.2906	1.3285	2.7400	3.5039		2.0432
H6	2.0987	1.0738	3.2943	2.6175	2.0432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.623	C1	C2	H6	123.239
C2	C1	F3	125.463	C2	C1	F4	123.166
F3	C1	F4	111.371	F5	C2	H6	116.137

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: HF/aug-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	1.208
2	C	0.689
3	F	-0.572
4	F	-0.577
5	F	-0.591
6	H	-0.157

	x	y	z	Total
	-1.443	0.157	0.000	1.452
CHELPG
AIM
ESP

	x	y	z
x	3.958	0.602	0.000
y	0.602	4.700	0.000
z	0.000	0.000	2.892

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)