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	hartrees
Energy at 0K	-107.870418
Energy at 298.15K	-107.871109
Nuclear repulsion energy	128.798350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1863	1804	0.00
2	A_g	726	703	0.00
3	A_g	355	344	0.00
4	A_u	180	174	0.00
5	B_1u	1096	1062	283.03
6	B_1u	493	477	5.79
7	B_2g	448	433	0.00
8	B_2u	1239	1200	320.72
9	B_2u	195	189	8.12
10	B_3g	1244	1205	0.00
11	B_3g	509	493	0.00
12	B_3u	365	353	7.90

Atom	y (Å)	z (Å)
C1	0.000	0.680
C2	0.000	-0.680
F3	1.148	1.435
F4	-1.148	1.435
F5	-1.148	-1.435
F6	1.148	-1.435

	C1	C2	F3	F4	F5	F6
C1		1.3591	1.3737	1.3737	2.4055	2.4055
C2	1.3591		2.4055	2.4055	1.3737	1.3737
F3	1.3737	2.4055		2.2951	3.6742	2.8692
F4	1.3737	2.4055	2.2951		2.8692	3.6742
F5	2.4055	1.3737	3.6742	2.8692		2.2951
F6	2.4055	1.3737	2.8692	3.6742	2.2951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.343	C1	C2	F6	123.343
C2	C1	F3	123.343	C2	C1	F4	123.343
F3	C1	F4	113.314	F5	C2	F6	113.314

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: B3LYP/CEP-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	0.222
2	C	0.222
3	F	-0.111
4	F	-0.111
5	F	-0.111
6	F	-0.111

<r²>	118.819
(<r²>)^1/2	10.900

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)