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	hartrees
Energy at 0K	-370.974250
Energy at 298.15K	-370.975594
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3391	3026	14.67
2	A'	1812	1617	15.44
3	A'	1491	1330	48.95
4	A'	1358	1212	74.01
5	A'	1243	1110	29.84
6	A'	942	841	14.31
7	A'	599	535	1.70
8	A'	440	393	1.05
9	A'	207	185	1.06
10	A"	757	675	15.29
11	A"	499	445	1.97
12	A"	279	249	0.45

Atom	x (Å)	y (Å)
C1	0.000	0.450
C2	-0.706	-0.724
F3	1.371	0.535
F4	-0.603	1.685
F5	-0.097	-1.958
H6	-1.810	-0.710

	C1	C2	F3	F4	F5	H6
C1		1.3694	1.3734	1.3744	2.4097	2.1497
C2	1.3694		2.4286	2.4110	1.3764	1.1044
F3	1.3734	2.4286		2.2837	2.8933	3.4160
F4	1.3744	2.4110	2.2837		3.6780	2.6822
F5	2.4097	1.3764	2.8933	3.6780		2.1197
H6	2.1497	1.1044	3.4160	2.6822	2.1197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	122.709	C1	C2	H6	120.307
C2	C1	F3	124.605	C2	C1	F4	122.973
F3	C1	F4	112.422	F5	C2	H6	116.984

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3LYP/STO-3G

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	0.145
2	C	-0.046
3	F	-0.060
4	F	-0.061
5	F	-0.061
6	H	0.083

	x	y	z	Total
	-0.477	0.208	0.000	0.520
CHELPG
AIM
ESP

	x	y	z
x	2.401	0.437	0.000
y	0.437	3.434	0.000
z	0.000	0.000	0.437

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)