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	hartrees
Energy at 0K	-376.290133
Energy at 298.15K
Nuclear repulsion energy	173.549523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3126	9.26
2	A'	1842	1771	80.22
3	A'	1380	1327	122.29
4	A'	1283	1234	204.71
5	A'	1190	1145	143.42
6	A'	950	914	58.39
7	A'	631	607	3.09
8	A'	490	471	1.64
9	A'	233	224	3.79
10	A"	784	754	34.54
11	A"	590	567	0.02
12	A"	313	301	3.69

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	-0.696	-0.692
F3	1.309	0.510
F4	-0.564	1.621
F5	-0.083	-1.879
H6	-1.775	-0.710

	C1	C2	F3	F4	F5	H6
C1		1.3213	1.3116	1.3165	2.3116	2.1099
C2	1.3213		2.3381	2.3161	1.3360	1.0786
F3	1.3116	2.3381		2.1779	2.7654	3.3165
F4	1.3165	2.3161	2.1779		3.5324	2.6259
F5	2.3116	1.3360	2.7654	3.5324		2.0561
H6	2.1099	1.0786	3.3165	2.6259	2.0561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.895	C1	C2	H6	122.758
C2	C1	F3	125.254	C2	C1	F4	122.813
F3	C1	F4	111.933	F5	C2	H6	116.347

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3PW91/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	0.306
2	C	-0.018
3	F	-0.118
4	F	-0.128
5	F	-0.160
6	H	0.118

	x	y	z	Total
	-1.173	0.184	0.000	1.187
CHELPG
AIM
ESP

	x	y	z
x	3.888	0.546	0.000
y	0.546	4.733	0.000
z	0.000	0.000	2.428

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)