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	hartrees
Energy at 0K	-475.564518
Energy at 298.15K	-475.565673
HF Energy	-475.564518
Nuclear repulsion energy	245.502862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1951	1865	0.00
2	A_g	814	778	0.00
3	A_g	407	389	0.00
4	A_u	205	196	0.00
5	B_1u	1215	1161	402.16
6	B_1u	565	540	2.01
7	B_2g	579	553	0.00
8	B_2u	1369	1309	426.62
9	B_2u	213	204	4.52
10	B_3g	1371	1311	0.00
11	B_3g	560	535	0.00
12	B_3u	438	419	3.02

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		1.3507	1.4257	1.4257	2.4159	2.4159
C2	1.3507		2.4159	2.4159	1.4257	1.4257
F3	1.4257	2.4159		2.4460	3.7302	2.8163
F4	1.4257	2.4159	2.4460		2.8163	3.7302
F5	2.4159	1.4257	3.7302	2.8163		2.4460
F6	2.4159	1.4257	2.8163	3.7302	2.4460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.930	C1	C2	F6	120.930
C2	C1	F3	120.930	C2	C1	F4	120.930
F3	C1	F4	118.141	F5	C2	F6	118.141

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: wB97X-D/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	0.247
2	C	0.247
3	F	-0.123
4	F	-0.123
5	F	-0.123
6	F	-0.123

<r²>	136.216
(<r²>)^1/2	11.671

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)