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	hartrees
Energy at 0K	-475.083499
Energy at 298.15K	-475.084405
Nuclear repulsion energy	241.676704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1859	1848	0.00
2	A_g	770	766	0.00
3	A_g	382	380	0.00
4	A_u	189	188	0.00
5	B_1u	1156	1150	344.15
6	B_1u	533	530	1.38
7	B_2g	484	481	0.00
8	B_2u	1304	1296	396.81
9	B_2u	193	192	4.13
10	B_3g	1311	1303	0.00
11	B_3g	527	524	0.00
12	B_3u	411	408	1.51

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
F3	1.114	1.400
F4	-1.114	1.400
F5	-1.114	-1.400
F6	1.114	-1.400

	C1	C2	F3	F4	F5	F6
C1		1.3404	1.3320	1.3320	2.3513	2.3513
C2	1.3404		2.3513	2.3513	1.3320	1.3320
F3	1.3320	2.3513		2.2279	3.5789	2.8009
F4	1.3320	2.3513	2.2279		2.8009	3.5789
F5	2.3513	1.3320	3.5789	2.8009		2.2279
F6	2.3513	1.3320	2.8009	3.5789	2.2279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.248	C1	C2	F6	123.248
C2	C1	F3	123.248	C2	C1	F4	123.248
F3	C1	F4	113.504	F5	C2	F6	113.504

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: PBEPBE/cc-pVDZ

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	0.196
2	C	0.196
3	F	-0.098
4	F	-0.098
5	F	-0.098
6	F	-0.098

<r²>	139.630
(<r²>)^1/2	11.817

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)