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	hartrees
Energy at 0K	-376.225205
Energy at 298.15K
Nuclear repulsion energy	170.638384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3152	7.03
2	A'	1764	1750	57.31
3	A'	1333	1323	81.82
4	A'	1237	1227	177.68
5	A'	1142	1133	131.97
6	A'	902	896	50.75
7	A'	595	590	2.50
8	A'	461	458	1.38
9	A'	220	218	3.59
10	A"	724	719	24.67
11	A"	513	509	1.25
12	A"	292	289	2.98

Atom	x (Å)	y (Å)
C1	0.000	0.438
C2	-0.710	-0.698
F3	1.336	0.508
F4	-0.576	1.650
F5	-0.086	-1.906
H6	-1.798	-0.719

	C1	C2	F3	F4	F5	H6
C1		1.3396	1.3376	1.3418	2.3456	2.1383
C2	1.3396		2.3751	2.3516	1.3597	1.0882
F3	1.3376	2.3751		2.2268	2.8021	3.3658
F4	1.3418	2.3516	2.2268		3.5895	2.6656
F5	2.3456	1.3597	2.8021	3.5895		2.0832
H6	2.1383	1.0882	3.3658	2.6656	2.0832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.674	C1	C2	H6	123.129
C2	C1	F3	125.029	C2	C1	F4	122.561
F3	C1	F4	112.410	F5	C2	H6	116.197

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: BLYP/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	0.459
2	C	0.098
3	F	-0.206
4	F	-0.215
5	F	-0.239
6	H	0.103

	x	y	z	Total
	-1.041	0.196	0.000	1.059
CHELPG
AIM
ESP

	x	y	z
x	3.687	0.566	0.000
y	0.566	4.569	0.000
z	0.000	0.000	1.848

<r²>	105.509
(<r²>)^1/2	10.272

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)