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	hartrees
Energy at 0K	-376.188217
Energy at 298.15K	-376.189972
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3124	6.99
2	A'	1878	1783	69.72
3	A'	1418	1346	139.40
4	A'	1316	1250	187.39
5	A'	1210	1149	115.19
6	A'	962	913	54.91
7	A'	625	594	3.11
8	A'	483	458	1.90
9	A'	221	209	4.04
10	A"	778	739	28.93
11	A"	568	539	1.39
12	A"	309	294	4.15

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	-0.700	-0.690
F3	1.312	0.504
F4	-0.565	1.624
F5	-0.083	-1.877
H6	-1.780	-0.713

	C1	C2	F3	F4	F5	H6
C1		1.3237	1.3140	1.3181	2.3120	2.1166
C2	1.3237		2.3396	2.3184	1.3375	1.0803
F3	1.3140	2.3396		2.1862	2.7597	3.3225
F4	1.3181	2.3184	2.1862		3.5344	2.6334
F5	2.3120	1.3375	2.7597	3.5344		2.0581
H6	2.1166	1.0803	3.3225	2.6334	2.0581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.633	C1	C2	H6	123.082
C2	C1	F3	124.988	C2	C1	F4	122.702
F3	C1	F4	112.309	F5	C2	H6	116.285

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B1B95/6-31G*

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	0.523
2	C	0.026
3	F	-0.231
4	F	-0.240
5	F	-0.263
6	H	0.185

	x	y	z	Total
	-1.152	0.209	0.000	1.171
CHELPG
AIM
ESP

	x	y	z
x	3.474	0.585	0.000
y	0.585	4.305	0.000
z	0.000	0.000	1.821

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)