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	hartrees
Energy at 0K	-275.693430
Energy at 298.15K	-275.695647
Nuclear repulsion energy	111.356351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3153	3094	0.00
2	A_g	1764	1731	0.00
3	A_g	1261	1237	0.00
4	A_g	1189	1167	0.00
5	A_g	554	543	0.00
6	A_u	879	862	59.24
7	A_u	338	332	3.22
8	B_g	778	764	0.00
9	B_u	3146	3087	15.62
10	B_u	1291	1267	129.03
11	B_u	1217	1194	144.46
12	B_u	301	296	9.51

Atom	x (Å)	y (Å)
C1	-0.329	0.577
C2	0.329	-0.577
F3	0.329	1.733
F4	-0.329	-1.733
H5	-1.421	0.663
H6	1.421	-0.663

	C1	C2	F3	F4	H5	H6
C1		1.3290	1.3304	2.3107	1.0957	2.1456
C2	1.3290		2.3107	1.3304	2.1456	1.0957
F3	1.3304	2.3107		3.5287	2.0517	2.6339
F4	2.3107	1.3304	3.5287		2.6339	2.0517
H5	1.0957	2.1456	2.0517	2.6339		3.1372
H6	2.1456	1.0957	2.6339	2.0517	3.1372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.655	C1	C2	H6	124.194
C2	C1	F3	120.655	C2	C1	H5	124.194
F3	C1	H5	115.151	F4	C2	H6	115.151

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (E)-)

using model chemistry: LSDA/6-31G*

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	0.037
2	C	0.037
3	F	-0.209
4	F	-0.209
5	H	0.171
6	H	0.171

	x	y	z
x	3.427	-0.488	0.000
y	-0.488	4.522	0.000
z	0.000	0.000	1.675

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H2F2 (Ethene, 1,2-difluoro-, (E)-)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (E)-)