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	hartrees
Energy at 0K	-475.499596
Energy at 298.15K	-475.500557
Nuclear repulsion energy	243.444444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1928	1852	0.00
2	A_g	798	766	0.00
3	A_g	391	376	0.00
4	A_u	194	187	0.00
5	B_1u	1201	1154	353.02
6	B_1u	544	523	1.64
7	B_2g	481	462	0.00
8	B_2u	1361	1308	377.02
9	B_2u	201	193	4.82
10	B_3g	1367	1313	0.00
11	B_3g	546	525	0.00
12	B_3u	416	399	4.05

Atom	y (Å)	z (Å)
C1	0.000	0.663
C2	0.000	-0.663
F3	1.109	1.387
F4	-1.109	1.387
F5	-1.109	-1.387
F6	1.109	-1.387

	C1	C2	F3	F4	F5	F6
C1		1.3255	1.3243	1.3243	2.3302	2.3302
C2	1.3255		2.3302	2.3302	1.3243	1.3243
F3	1.3243	2.3302		2.2179	3.5510	2.7732
F4	1.3243	2.3302	2.2179		2.7732	3.5510
F5	2.3302	1.3243	3.5510	2.7732		2.2179
F6	2.3302	1.3243	2.7732	3.5510	2.2179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.132	C1	C2	F6	123.132
C2	C1	F3	123.132	C2	C1	F4	123.132
F3	C1	F4	113.736	F5	C2	F6	113.736

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: B3LYP/6-31G**

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	0.465
2	C	0.465
3	F	-0.233
4	F	-0.233
5	F	-0.233
6	F	-0.233

<r²>	137.622
(<r²>)^1/2	11.731

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)