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	hartrees
Energy at 0K	-376.286949
Energy at 298.15K	-376.288565
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3172	11.33
2	A'	1803	1733	52.50
3	A'	1331	1280	52.15
4	A'	1189	1143	179.45
5	A'	1109	1066	138.92
6	A'	873	840	52.26
7	A'	581	559	2.83
8	A'	441	423	4.35
9	A'	221	213	6.52
10	A"	818	787	49.67
11	A"	529	508	0.08
12	A"	290	279	9.49

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	-0.724	-0.691
F3	1.364	0.508
F4	-0.573	1.679
F5	-0.107	-1.935
H6	-1.806	-0.708

	C1	C2	F3	F4	F5	H6
C1		1.3359	1.3660	1.3728	2.3688	2.1356
C2	1.3359		2.4080	2.3749	1.3884	1.0820
F3	1.3660	2.4080		2.2634	2.8517	3.3953
F4	1.3728	2.3749	2.2634		3.6437	2.6867
F5	2.3688	1.3884	2.8517	3.6437		2.0955
H6	2.1356	1.0820	3.3953	2.6867	2.0955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.787	C1	C2	H6	123.726
C2	C1	F3	126.045	C2	C1	F4	122.497
F3	C1	F4	111.458	F5	C2	H6	115.487

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3LYP/SDD

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	0.409
2	C	-0.074
3	F	-0.178
4	F	-0.192
5	F	-0.207
6	H	0.240

	x	y	z	Total
	-1.883	-0.018	0.000	1.884
CHELPG
AIM
ESP

	x	y	z
x	3.441	0.582	0.000
y	0.582	4.547	0.000
z	0.000	0.000	1.628

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)