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	hartrees
Energy at 0K	-376.135738
Energy at 298.15K
Nuclear repulsion energy	172.922461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3139	6.84
2	A'	1862	1782	68.54
3	A'	1407	1346	127.91
4	A'	1309	1252	183.20
5	A'	1203	1151	126.16
6	A'	955	913	55.17
7	A'	624	597	2.95
8	A'	483	462	1.76
9	A'	226	217	3.96
10	A"	775	741	30.31
11	A"	565	540	1.34
12	A"	309	295	3.99

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	-0.700	-0.692
F3	1.315	0.507
F4	-0.568	1.627
F5	-0.083	-1.882
H6	-1.782	-0.716

	C1	C2	F3	F4	F5	H6
C1		1.3265	1.3174	1.3212	2.3184	2.1207
C2	1.3265		2.3453	2.3234	1.3406	1.0818
F3	1.3174	2.3453		2.1915	2.7684	3.3296
F4	1.3212	2.3234	2.1915		3.5431	2.6389
F5	2.3184	1.3406	2.7684	3.5431		2.0606
H6	2.1207	1.0818	3.3296	2.6389	2.0606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.740	C1	C2	H6	123.099
C2	C1	F3	125.000	C2	C1	F4	122.690
F3	C1	F4	112.310	F5	C2	H6	116.161

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3PW91/6-31G*

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	0.528
2	C	0.012
3	F	-0.232
4	F	-0.240
5	F	-0.261
6	H	0.193

	x	y	z	Total
	-1.146	0.214	0.000	1.166
CHELPG
AIM
ESP

	x	y	z
x	3.492	0.589	0.000
y	0.589	4.347	0.000
z	0.000	0.000	1.831

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)