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	hartrees
Energy at 0K	-475.441724
Energy at 298.15K	-475.442794
Nuclear repulsion energy	244.605607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1960	1884	0.00
2	A_g	809	777	0.00
3	A_g	395	380	0.00
4	A_u	200	192	0.00
5	B_1u	1210	1163	396.60
6	B_1u	555	533	2.05
7	B_2g	549	527	0.00
8	B_2u	1379	1325	424.78
9	B_2u	196	188	4.89
10	B_3g	1389	1335	0.00
11	B_3g	552	530	0.00
12	B_3u	435	418	3.84

Atom	y (Å)	z (Å)
C1	0.000	0.662
C2	0.000	-0.662
F3	1.100	1.385
F4	-1.100	1.385
F5	-1.100	-1.385
F6	1.100	-1.385

	C1	C2	F3	F4	F5	F6
C1		1.3244	1.3159	1.3159	2.3236	2.3236
C2	1.3244		2.3236	2.3236	1.3159	1.3159
F3	1.3159	2.3236		2.1998	3.5366	2.7692
F4	1.3159	2.3236	2.1998		2.7692	3.5366
F5	2.3236	1.3159	3.5366	2.7692		2.1998
F6	2.3236	1.3159	2.7692	3.5366	2.1998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.295	C1	C2	F6	123.295
C2	C1	F3	123.295	C2	C1	F4	123.295
F3	C1	F4	113.410	F5	C2	F6	113.410

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: B1B95/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	0.250
2	C	0.250
3	F	-0.125
4	F	-0.125
5	F	-0.125
6	F	-0.125

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)