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	hartrees
Energy at 0K	-374.232354
Energy at 298.15K	-374.234137
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3167	4.37
2	A'	1844	1780	49.42
3	A'	1412	1363	56.33
4	A'	1301	1256	127.17
5	A'	1183	1141	104.87
6	A'	925	893	37.94
7	A'	606	584	2.01
8	A'	465	448	2.49
9	A'	223	216	5.15
10	A"	870	840	37.89
11	A"	594	573	0.78
12	A"	307	296	5.75

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	-0.697	-0.689
F3	1.346	0.517
F4	-0.587	1.649
F5	-0.097	-1.921
H6	-1.774	-0.671

	C1	C2	F3	F4	F5	H6
C1		1.3204	1.3486	1.3508	2.3561	2.0893
C2	1.3204		2.3723	2.3408	1.3707	1.0775
F3	1.3486	2.3723		2.2401	2.8336	3.3386
F4	1.3508	2.3408	2.2401		3.6042	2.6062
F5	2.3561	1.3707	2.8336	3.6042		2.0921
H6	2.0893	1.0775	3.3386	2.6062	2.0921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	122.199	C1	C2	H6	120.889
C2	C1	F3	125.445	C2	C1	F4	122.391
F3	C1	F4	112.163	F5	C2	H6	116.913

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3LYP/3-21G

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	0.520
2	C	0.029
3	F	-0.255
4	F	-0.261
5	F	-0.261
6	H	0.228

	x	y	z	Total
	-1.265	0.122	0.000	1.270
CHELPG
AIM
ESP

	x	y	z
x	3.132	0.536	0.000
y	0.536	4.013	0.000
z	0.000	0.000	1.089

<r²>	106.459
(<r²>)^1/2	10.318

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)