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	hartrees
Energy at 0K	-376.149119
Energy at 298.15K
Nuclear repulsion energy	167.249251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3193	5.34
2	A'	1749	1736	42.86
3	A'	1316	1306	41.70
4	A'	1185	1176	142.98
5	A'	1091	1083	114.55
6	A'	861	854	43.86
7	A'	566	562	2.75
8	A'	435	432	2.74
9	A'	218	216	4.98
10	A"	771	765	33.51
11	A"	499	495	0.37
12	A"	280	278	6.55

Atom	x (Å)	y (Å)
C1	0.000	0.435
C2	-0.730	-0.688
F3	1.375	0.497
F4	-0.577	1.691
F5	-0.110	-1.941
H6	-1.815	-0.707

	C1	C2	F3	F4	F5	H6
C1		1.3389	1.3760	1.3818	2.3780	2.1444
C2	1.3389		2.4149	2.3831	1.3980	1.0857
F3	1.3760	2.4149		2.2876	2.8538	3.4094
F4	1.3818	2.3831	2.2876		3.6611	2.6983
F5	2.3780	1.3980	2.8538	3.6611		2.1052
H6	2.1444	1.0857	3.4094	2.6983	2.1052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.638	C1	C2	H6	124.032
C2	C1	F3	125.612	C2	C1	F4	122.299
F3	C1	F4	112.089	F5	C2	H6	115.330

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	0.463
2	C	0.112
3	F	-0.231
4	F	-0.241
5	F	-0.261
6	H	0.158

	x	y	z	Total
	-1.476	0.041	0.000	1.476
CHELPG
AIM
ESP

	x	y	z
x	3.557	0.493	0.000
y	0.493	4.527	0.000
z	0.000	0.000	1.410

<r²>	0.000
(<r²>)^1/2	0.000

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)