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	hartrees
Energy at 0K	-475.571481
Energy at 298.15K	-475.572620
HF Energy	-475.571481
Nuclear repulsion energy	245.351609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1950	1862	0.00
2	A_g	812	776	0.00
3	A_g	409	390	0.00
4	A_u	203	193	0.00
5	B_1u	1211	1156	427.93
6	B_1u	567	541	2.04
7	B_2g	570	544	0.00
8	B_2u	1362	1301	469.84
9	B_2u	216	207	5.58
10	B_3g	1365	1303	0.00
11	B_3g	562	537	0.00
12	B_3u	426	407	3.53

Atom	y (Å)	z (Å)
C1	0.000	0.675
C2	0.000	-0.675
F3	1.223	1.408
F4	-1.223	1.408
F5	-1.223	-1.408
F6	1.223	-1.408

	C1	C2	F3	F4	F5	F6
C1		1.3500	1.4259	1.4259	2.4157	2.4157
C2	1.3500		2.4157	2.4157	1.4259	1.4259
F3	1.4259	2.4157		2.4457	3.7304	2.8167
F4	1.4259	2.4157	2.4457		2.8167	3.7304
F5	2.4157	1.4259	3.7304	2.8167		2.4457
F6	2.4157	1.4259	2.8167	3.7304	2.4457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.952	C1	C2	F6	120.952
C2	C1	F3	120.952	C2	C1	F4	120.952
F3	C1	F4	118.095	F5	C2	F6	118.095

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: wB97X-D/TZVP

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	0.281
2	C	0.281
3	F	-0.140
4	F	-0.140
5	F	-0.140
6	F	-0.140

<r²>	136.706
(<r²>)^1/2	11.692

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)