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	hartrees
Energy at 0K	-107.882333
Energy at 298.15K	-107.883091
Nuclear repulsion energy	129.251637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1840	1793	0.00
2	A_g	719	700	0.00
3	A_g	357	348	0.00
4	A_u	181	176	0.00
5	B_1u	1095	1067	300.54
6	B_1u	492	480	5.42
7	B_2g	469	457	0.00
8	B_2u	1234	1203	341.74
9	B_2u	198	193	7.83
10	B_3g	1239	1207	0.00
11	B_3g	516	503	0.00
12	B_3u	366	356	7.75

Atom	y (Å)	z (Å)
C1	0.000	0.671
C2	0.000	-0.671
F3	1.145	1.428
F4	-1.145	1.428
F5	-1.145	-1.428
F6	1.145	-1.428

	C1	C2	F3	F4	F5	F6
C1		1.3425	1.3724	1.3724	2.3911	2.3911
C2	1.3425		2.3911	2.3911	1.3724	1.3724
F3	1.3724	2.3911		2.2899	3.6606	2.8559
F4	1.3724	2.3911	2.2899		2.8559	3.6606
F5	2.3911	1.3724	3.6606	2.8559		2.2899
F6	2.3911	1.3724	2.8559	3.6606	2.2899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.462	C1	C2	F6	123.462
C2	C1	F3	123.462	C2	C1	F4	123.462
F3	C1	F4	113.076	F5	C2	F6	113.076

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: B3LYP/CEP-121G

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	0.266
2	C	0.266
3	F	-0.133
4	F	-0.133
5	F	-0.133
6	F	-0.133

<r²>	117.947
(<r²>)^1/2	10.860

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)