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	hartrees
Energy at 0K	-275.696377
Energy at 298.15K	-275.698601
Nuclear repulsion energy	111.383381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3149	3090	0.00
2	A_g	1763	1730	0.00
3	A_g	1252	1229	0.00
4	A_g	1190	1167	0.00
5	A_g	554	543	0.00
6	A_u	877	861	58.59
7	A_u	338	332	3.27
8	B_g	780	766	0.00
9	B_u	3142	3083	14.93
10	B_u	1286	1262	144.20
11	B_u	1214	1192	128.03
12	B_u	300	294	9.47

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	-1.422	0.660
H6	1.422	-0.660

	C1	C2	F3	F4	H5	H6
C1		1.3288	1.3303	2.3097	1.0953	2.1437
C2	1.3288		2.3097	1.3303	2.1437	1.0953
F3	1.3303	2.3097		3.5274	2.0536	2.6299
F4	2.3097	1.3303	3.5274		2.6299	2.0536
H5	1.0953	2.1437	2.0536	2.6299		3.1344
H6	2.1437	1.0953	2.6299	2.0536	3.1344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.590	C1	C2	H6	124.054
C2	C1	F3	120.590	C2	C1	H5	124.054
F3	C1	H5	115.355	F4	C2	H6	115.355

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	0.076
2	C	0.076
3	F	-0.212
4	F	-0.212
5	H	0.135
6	H	0.135

	x	y	z
x	3.459	-0.496	0.000
y	-0.496	4.533	0.000
z	0.000	0.000	1.695

<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)-)