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	hartrees
Energy at 0K	-276.940586
Energy at 298.15K	-276.942721
HF Energy	-276.940586
Nuclear repulsion energy	107.753570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3197	3172	0.00
2	A_g	1682	1669	0.00
3	A_g	1283	1273	0.00
4	A_g	1056	1048	0.00
5	A_g	511	507	0.00
6	A_u	899	892	74.27
7	A_u	311	309	7.26
8	B_g	780	774	0.00
9	B_u	3190	3165	10.62
10	B_u	1265	1255	2.73
11	B_u	1083	1075	183.68
12	B_u	298	296	14.07

Atom	x (Å)	y (Å)
C1	-0.344	0.574
C2	0.344	-0.574
F3	0.344	1.797
F4	-0.344	-1.797
H5	-1.428	0.676
H6	1.428	-0.676

	C1	C2	F3	F4	H5	H6
C1		1.3386	1.4039	2.3713	1.0881	2.1686
C2	1.3386		2.3713	1.4039	2.1686	1.0881
F3	1.4039	2.3713		3.6600	2.0969	2.7004
F4	2.3713	1.4039	3.6600		2.7004	2.0969
H5	1.0881	2.1686	2.0969	2.7004		3.1595
H6	2.1686	1.0881	2.7004	2.0969	3.1595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.659	C1	C2	H6	126.358
C2	C1	F3	119.659	C2	C1	H5	126.358
F3	C1	H5	113.983	F4	C2	H6	113.983

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

using model chemistry: BLYP/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	0.128
2	C	0.128
3	F	-0.275
4	F	-0.275
5	H	0.147
6	H	0.147

	x	y	z
x	3.210	-0.364	0.000
y	-0.364	4.707	0.000
z	0.000	0.000	1.307

<r²>	84.646
(<r²>)^1/2	9.200

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

using model chemistry: BLYP/6-31G

States and conformations

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