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	hartrees
Energy at 0K	-13.653250
Energy at 298.15K	-13.656374
HF Energy	-13.653250
Nuclear repulsion energy	19.205083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3187	3187	0.00
2	A_g	1721	1721	0.00
3	A_g	1363	1363	0.00
4	A_u	1038	1038	0.00
5	B_1u	3168	3168	22.12
6	B_1u	1442	1442	9.96
7	B_2g	921	921	0.00
8	B_2u	3282	3282	46.63
9	B_2u	794	794	2.28
10	B_3g	3238	3238	0.00
11	B_3g	1175	1175	0.00
12	B_3u	956	956	159.36

Atom	y (Å)	z (Å)
C1	0.000	0.682
C2	0.000	-0.682
H3	0.936	1.252
H4	-0.936	1.252
H5	-0.936	-1.252
H6	0.936	-1.252

	C1	C2	H3	H4	H5	H6
C1		1.3631	1.0959	1.0959	2.1483	2.1483
C2	1.3631		2.1483	2.1483	1.0959	1.0959
H3	1.0959	2.1483		1.8710	3.1264	2.5048
H4	1.0959	2.1483	1.8710		2.5048	3.1264
H5	2.1483	1.0959	3.1264	2.5048		1.8710
H6	2.1483	1.0959	2.5048	3.1264	1.8710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.391	C1	C2	H6	121.391
C2	C1	H3	121.391	C2	C1	H4	121.391
H3	C1	H4	117.218	H5	C2	H6	117.218

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: HSEh1PBE/CEP-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	-0.399
2	C	-0.399
3	H	0.199
4	H	0.199
5	H	0.199
6	H	0.199

<r²>	21.617
(<r²>)^1/2	4.649

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: HSEh1PBE/CEP-31G*

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)