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	hartrees
Energy at 0K	-106.205888
Energy at 298.15K	-106.207072
Nuclear repulsion energy	131.996386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2064	1884	0.00
2	A_g	791	721	0.00
3	A_g	396	361	0.00
4	A_u	213	194	0.00
5	B_1u	1209	1103	394.98
6	B_1u	545	497	9.10
7	B_2g	620	565	0.00
8	B_2u	1391	1270	362.32
9	B_2u	218	199	10.51
10	B_3g	1404	1281	0.00
11	B_3g	575	525	0.00
12	B_3u	434	396	18.22

Atom	y (Å)	z (Å)
C1	0.000	0.657
C2	0.000	-0.657
F3	1.117	1.403
F4	-1.117	1.403
F5	-1.117	-1.403
F6	1.117	-1.403

	C1	C2	F3	F4	F5	F6
C1		1.3141	1.3434	1.3434	2.3435	2.3435
C2	1.3141		2.3435	2.3435	1.3434	1.3434
F3	1.3434	2.3435		2.2349	3.5870	2.8057
F4	1.3434	2.3435	2.2349		2.8057	3.5870
F5	2.3435	1.3434	3.5870	2.8057		2.2349
F6	2.3435	1.3434	2.8057	3.5870	2.2349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.719	C1	C2	F6	123.719
C2	C1	F3	123.719	C2	C1	F4	123.719
F3	C1	F4	112.563	F5	C2	F6	112.563

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: HF/CEP-121G

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	0.437
2	C	0.437
3	F	-0.219
4	F	-0.219
5	F	-0.219
6	F	-0.219

<r²>	114.445
(<r²>)^1/2	10.698

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)