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	hartrees
Energy at 0K	-376.340051
Energy at 298.15K	-376.341900
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3136	9.54
2	A'	1860	1784	82.73
3	A'	1396	1339	133.29
4	A'	1298	1245	202.89
5	A'	1202	1153	139.61
6	A'	961	922	58.51
7	A'	637	611	3.15
8	A'	494	474	1.69
9	A'	234	224	3.85
10	A"	793	761	34.74
11	A"	598	574	0.01
12	A"	316	303	3.77

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	-0.696	-0.690
F3	1.306	0.507
F4	-0.561	1.617
F5	-0.083	-1.874
H6	-1.773	-0.708

	C1	C2	F3	F4	F5	H6
C1		1.3191	1.3078	1.3125	2.3063	2.1070
C2	1.3191		2.3320	2.3111	1.3329	1.0773
F3	1.3078	2.3320		2.1720	2.7567	3.3095
F4	1.3125	2.3111	2.1720		3.5238	2.6218
F5	2.3063	1.3329	2.7567	3.5238		2.0528
H6	2.1070	1.0773	3.3095	2.6218	2.0528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.830	C1	C2	H6	122.775
C2	C1	F3	125.176	C2	C1	F4	122.852
F3	C1	F4	111.972	F5	C2	H6	116.395

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: mPW1PW91/cc-pVTZ

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	0.304
2	C	-0.012
3	F	-0.117
4	F	-0.127
5	F	-0.160
6	H	0.113

	x	y	z	Total
	-1.175	0.193	0.000	1.190
CHELPG
AIM
ESP

	x	y	z
x	3.853	0.549	0.000
y	0.549	4.682	0.000
z	0.000	0.000	2.419

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)