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	hartrees
Energy at 0K	-475.531892
Energy at 298.15K	-475.533003
Nuclear repulsion energy	245.302490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1951	1867	0.00
2	A_g	811	775	0.00
3	A_g	403	385	0.00
4	A_u	202	193	0.00
5	B_1u	1211	1158	415.63
6	B_1u	562	538	2.08
7	B_2g	560	536	0.00
8	B_2u	1368	1308	444.91
9	B_2u	206	197	5.42
10	B_3g	1369	1310	0.00
11	B_3g	559	535	0.00
12	B_3u	433	414	4.16

Atom	y (Å)	z (Å)
C1	0.000	0.660
C2	0.000	-0.660
F3	1.097	1.380
F4	-1.097	1.380
F5	-1.097	-1.380
F6	1.097	-1.380

	C1	C2	F3	F4	F5	F6
C1		1.3190	1.3127	1.3127	2.3161	2.3161
C2	1.3190		2.3161	2.3161	1.3127	1.3127
F3	1.3127	2.3161		2.1943	3.5263	2.7604
F4	1.3127	2.3161	2.1943		2.7604	3.5263
F5	2.3161	1.3127	3.5263	2.7604		2.1943
F6	2.3161	1.3127	2.7604	3.5263	2.1943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.300	C1	C2	F6	123.300
C2	C1	F3	123.300	C2	C1	F4	123.300
F3	C1	F4	113.400	F5	C2	F6	113.400

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: mPW1PW91/6-311G**

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	0.341
2	C	0.341
3	F	-0.170
4	F	-0.170
5	F	-0.170
6	F	-0.170

<r²>	136.424
(<r²>)^1/2	11.680

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)