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	hartrees
Energy at 0K	-475.499596
Energy at 298.15K	-475.500543
Nuclear repulsion energy	243.443758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1928	1851	0.00
2	A_g	798	766	0.00
3	A_g	391	376	0.00
4	A_u	194	186	0.00
5	B_1u	1201	1153	353.02
6	B_1u	544	523	1.64
7	B_2g	481	462	0.00
8	B_2u	1361	1307	377.03
9	B_2u	201	193	4.82
10	B_3g	1367	1313	0.00
11	B_3g	546	524	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		1.3256	1.3243	1.3243	2.3302	2.3302
C2	1.3256		2.3302	2.3302	1.3243	1.3243
F3	1.3243	2.3302		2.2180	3.5510	2.7731
F4	1.3243	2.3302	2.2180		2.7731	3.5510
F5	2.3302	1.3243	3.5510	2.7731		2.2180
F6	2.3302	1.3243	2.7731	3.5510	2.2180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.131	C1	C2	F6	123.131
C2	C1	F3	123.131	C2	C1	F4	123.131
F3	C1	F4	113.739	F5	C2	F6	113.739

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	CHELPG	ESP
1	C	0.465	0.209	0.192
2	C	0.465	0.209	0.192
3	F	-0.233	-0.105	-0.096
4	F	-0.233	-0.105	-0.096
5	F	-0.233	-0.105	-0.096
6	F	-0.233	-0.105	-0.096

<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)