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	hartrees
Energy at 0K	-475.461970
Energy at 298.15K	-475.462932
HF Energy	-475.461970
Nuclear repulsion energy	242.864688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1846	1820	0.00
2	A_g	770	759	0.00
3	A_g	392	386	0.00
4	A_u	191	188	0.00
5	B_1u	1152	1135	359.35
6	B_1u	542	534	1.46
7	B_2g	492	485	0.00
8	B_2u	1281	1263	415.40
9	B_2u	210	207	3.99
10	B_3g	1284	1266	0.00
11	B_3g	537	529	0.00
12	B_3u	406	400	1.72

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
F3	1.108	1.394
F4	-1.108	1.394
F5	-1.108	-1.394
F6	1.108	-1.394

	C1	C2	F3	F4	F5	F6
C1		1.3314	1.3261	1.3261	2.3390	2.3390
C2	1.3314		2.3390	2.3390	1.3261	1.3261
F3	1.3261	2.3390		2.2163	3.5618	2.7883
F4	1.3261	2.3390	2.2163		2.7883	3.5618
F5	2.3390	1.3261	3.5618	2.7883		2.2163
F6	2.3390	1.3261	2.7883	3.5618	2.2163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.056	C1	C2	F6	121.056
C2	C1	F3	121.056	C2	C1	F4	121.056
F3	C1	F4	117.889	F5	C2	F6	117.889

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: B97D3/cc-pVTZ

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	0.228
2	C	0.228
3	F	-0.114
4	F	-0.114
5	F	-0.114
6	F	-0.114

<r²>	138.674
(<r²>)^1/2	11.776

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)