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	hartrees
Energy at 0K	-472.920388
Energy at 298.15K	-472.921412
Nuclear repulsion energy	240.298311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1912	1844	0.00
2	A_g	775	748	0.00
3	A_g	381	368	0.00
4	A_u	194	187	0.00
5	B_1u	1192	1150	249.66
6	B_1u	526	508	2.25
7	B_2g	574	554	0.00
8	B_2u	1365	1317	248.66
9	B_2u	209	201	6.48
10	B_3g	1337	1290	0.00
11	B_3g	530	512	0.00
12	B_3u	437	422	6.10

Atom	y (Å)	z (Å)
C1	0.000	0.659
C2	0.000	-0.659
F3	1.129	1.399
F4	-1.129	1.399
F5	-1.129	-1.399
F6	1.129	-1.399

	C1	C2	F3	F4	F5	F6
C1		1.3186	1.3495	1.3495	2.3475	2.3475
C2	1.3186		2.3475	2.3475	1.3495	1.3495
F3	1.3495	2.3475		2.2574	3.5951	2.7981
F4	1.3495	2.3475	2.2574		2.7981	3.5951
F5	2.3475	1.3495	3.5951	2.7981		2.2574
F6	2.3475	1.3495	2.7981	3.5951	2.2574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.240	C1	C2	F6	123.240
C2	C1	F3	123.240	C2	C1	F4	123.240
F3	C1	F4	113.519	F5	C2	F6	113.519

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

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	ESP
1	C	0.503	0.248
2	C	0.503	0.248
3	F	-0.251	-0.124
4	F	-0.251	-0.124
5	F	-0.251	-0.124
6	F	-0.251	-0.124

<r²>	140.842
(<r²>)^1/2	11.868

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)