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	hartrees
Energy at 0K	-475.327267
Energy at 298.15K	-475.328254
Nuclear repulsion energy	244.048097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1940	1860	0.00
2	A_g	806	773	0.00
3	A_g	393	377	0.00
4	A_u	195	187	0.00
5	B_1u	1214	1164	358.94
6	B_1u	549	526	1.82
7	B_2g	488	467	0.00
8	B_2u	1381	1324	385.33
9	B_2u	201	192	4.58
10	B_3g	1386	1329	0.00
11	B_3g	548	526	0.00
12	B_3u	422	405	3.84

Atom	y (Å)	z (Å)
C1	0.000	0.663
C2	0.000	-0.663
F3	1.105	1.384
F4	-1.105	1.384
F5	-1.105	-1.384
F6	1.105	-1.384

	C1	C2	F3	F4	F5	F6
C1		1.3254	1.3200	1.3200	2.3262	2.3262
C2	1.3254		2.3262	2.3262	1.3200	1.3200
F3	1.3200	2.3262		2.2109	3.5426	2.7680
F4	1.3200	2.3262	2.2109		2.7680	3.5426
F5	2.3262	1.3200	3.5426	2.7680		2.2109
F6	2.3262	1.3200	2.7680	3.5426	2.2109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.125	C1	C2	F6	123.125
C2	C1	F3	123.125	C2	C1	F4	123.125
F3	C1	F4	113.751	F5	C2	F6	113.751

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: B3PW91/6-31G**

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	0.469
2	C	0.469
3	F	-0.234
4	F	-0.234
5	F	-0.234
6	F	-0.234

<r²>	137.028
(<r²>)^1/2	11.706

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)