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	hartrees
Energy at 0K	-275.819363
Energy at 298.15K	-275.821605
Nuclear repulsion energy	111.727836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3127	3093	0.00
2	A_g	1737	1718	0.00
3	A_g	1253	1239	0.00
4	A_g	1169	1156	0.00
5	A_g	554	548	0.00
6	A_u	865	855	74.82
7	A_u	336	332	2.98
8	B_g	802	793	0.00
9	B_u	3120	3086	14.62
10	B_u	1254	1241	122.39
11	B_u	1198	1185	180.20
12	B_u	304	301	10.16

Atom	x (Å)	y (Å)
C1	-0.329	0.573
C2	0.329	-0.573
F3	0.329	1.727
F4	-0.329	-1.727
H5	-1.418	0.658
H6	1.418	-0.658

	C1	C2	F3	F4	H5	H6
C1		1.3208	1.3283	2.2999	1.0924	2.1365
C2	1.3208		2.2999	1.3283	2.1365	1.0924
F3	1.3283	2.2999		3.5161	2.0478	2.6217
F4	2.2999	1.3283	3.5161		2.6217	2.0478
H5	1.0924	2.1365	2.0478	2.6217		3.1259
H6	2.1365	1.0924	2.6217	2.0478	3.1259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.490	C1	C2	H6	124.307
C2	C1	F3	120.490	C2	C1	H5	124.307
F3	C1	H5	115.203	F4	C2	H6	115.203

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

using model chemistry: LSDA/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	0.023
2	C	0.023
3	F	-0.125
4	F	-0.125
5	H	0.102
6	H	0.102

	x	y	z
x	3.838	-0.470	0.000
y	-0.470	4.956	0.000
z	0.000	0.000	2.422

<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/cc-pVTZ

States and conformations

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