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	hartrees
Energy at 0K	-475.423849
Energy at 298.15K	-475.424949
Nuclear repulsion energy	244.648974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1965	1883	0.00
2	A_g	811	777	0.00
3	A_g	399	383	0.00
4	A_u	202	193	0.00
5	B_1u	1213	1163	401.29
6	B_1u	559	536	1.94
7	B_2g	557	533	0.00
8	B_2u	1381	1324	424.88
9	B_2u	201	193	4.98
10	B_3g	1392	1334	0.00
11	B_3g	556	533	0.00
12	B_3u	440	421	3.81

Atom	y (Å)	z (Å)
C1	0.000	0.662
C2	0.000	-0.662
F3	1.099	1.385
F4	-1.099	1.385
F5	-1.099	-1.385
F6	1.099	-1.385

	C1	C2	F3	F4	F5	F6
C1		1.3243	1.3156	1.3156	2.3235	2.3235
C2	1.3243		2.3235	2.3235	1.3156	1.3156
F3	1.3156	2.3235		2.1985	3.5363	2.7698
F4	1.3156	2.3235	2.1985		2.7698	3.5363
F5	2.3235	1.3156	3.5363	2.7698		2.1985
F6	2.3235	1.3156	2.7698	3.5363	2.1985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.326	C1	C2	F6	123.326
C2	C1	F3	123.326	C2	C1	F4	123.326
F3	C1	F4	113.347	F5	C2	F6	113.347

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: mPW1PW91/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	0.260
2	C	0.260
3	F	-0.130
4	F	-0.130
5	F	-0.130
6	F	-0.130

<r²>	136.853
(<r²>)^1/2	11.698

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)