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	hartrees
Energy at 0K	-475.274920
Energy at 298.15K	-475.275852
HF Energy	-475.274920
Nuclear repulsion energy	242.508930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1838	1816	0.00
2	A_g	771	761	0.00
3	A_g	386	381	0.00
4	A_u	191	189	0.00
5	B_1u	1153	1139	349.44
6	B_1u	536	529	1.82
7	B_2g	501	495	0.00
8	B_2u	1284	1268	415.47
9	B_2u	205	203	3.86
10	B_3g	1282	1267	0.00
11	B_3g	533	526	0.00
12	B_3u	400	395	1.10

Atom	y (Å)	z (Å)
C1	0.000	0.678
C2	0.000	-0.678
F3	1.221	1.413
F4	-1.221	1.413
F5	-1.221	-1.413
F6	1.221	-1.413

	C1	C2	F3	F4	F5	F6
C1		1.3555	1.4253	1.4253	2.4210	2.4210
C2	1.3555		2.4210	2.4210	1.4253	1.4253
F3	1.4253	2.4210		2.4424	3.7347	2.8253
F4	1.4253	2.4210	2.4424		2.8253	3.7347
F5	2.4210	1.4253	3.7347	2.8253		2.4424
F6	2.4210	1.4253	2.8253	3.7347	2.4424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.039	C1	C2	F6	121.039
C2	C1	F3	121.039	C2	C1	F4	121.039
F3	C1	F4	117.922	F5	C2	F6	117.922

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: PBEPBE/Def2TZVPP

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	0.238
2	C	0.238
3	F	-0.119
4	F	-0.119
5	F	-0.119
6	F	-0.119

<r²>	139.308
(<r²>)^1/2	11.803

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)