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	hartrees
Energy at 0K	-376.295547
Energy at 298.15K	-376.297369
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3132	7.97
2	A'	1869	1783	80.52
3	A'	1394	1330	139.90
4	A'	1297	1237	212.36
5	A'	1197	1142	153.40
6	A'	957	914	64.06
7	A'	635	606	3.19
8	A'	492	470	2.03
9	A'	231	221	4.64
10	A"	789	753	37.02
11	A"	595	568	0.35
12	A"	316	301	4.61

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	-0.693	-0.692
F3	1.308	0.514
F4	-0.569	1.617
F5	-0.080	-1.878
H6	-1.771	-0.718

	C1	C2	F3	F4	F5	H6
C1		1.3200	1.3102	1.3151	2.3112	2.1115
C2	1.3200		2.3355	2.3128	1.3347	1.0788
F3	1.3102	2.3355		2.1769	2.7654	3.3159
F4	1.3151	2.3128	2.1769		3.5295	2.6267
F5	2.3112	1.3347	2.7654	3.5295		2.0504
H6	2.1115	1.0788	3.3159	2.6267	2.0504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.056	C1	C2	H6	123.022
C2	C1	F3	125.238	C2	C1	F4	122.729
F3	C1	F4	112.033	F5	C2	H6	115.922

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: mPW1PW91/6-311G*

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	0.392
2	C	-0.078
3	F	-0.169
4	F	-0.180
5	F	-0.205
6	H	0.240

	x	y	z	Total
	-1.252	0.191	0.000	1.266
CHELPG
AIM
ESP

	x	y	z
x	3.448	0.569	0.000
y	0.569	4.301	0.000
z	0.000	0.000	1.957

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)