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	hartrees
Energy at 0K	-13.649697
Energy at 298.15K	-13.652843
HF Energy	-13.649697
Nuclear repulsion energy	19.219241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3058	3058	0.00
2	A_g	1618	1618	0.00
3	A_g	1342	1342	0.00
4	A_u	1025	1025	0.00
5	B_1u	3032	3032	23.64
6	B_1u	1436	1436	10.29
7	B_2g	933	933	0.00
8	B_2u	3163	3163	54.01
9	B_2u	812	812	3.07
10	B_3g	3130	3130	0.00
11	B_3g	1196	1196	0.00
12	B_3u	949	949	138.00

Atom	y (Å)	z (Å)
C1	0.000	0.679
C2	0.000	-0.679
H3	0.934	1.256
H4	-0.934	1.256
H5	-0.934	-1.256
H6	0.934	-1.256

	C1	C2	H3	H4	H5	H6
C1		1.3578	1.0974	1.0974	2.1480	2.1480
C2	1.3578		2.1480	2.1480	1.0974	1.0974
H3	1.0974	2.1480		1.8672	3.1294	2.5112
H4	1.0974	2.1480	1.8672		2.5112	3.1294
H5	2.1480	1.0974	3.1294	2.5112		1.8672
H6	2.1480	1.0974	2.5112	3.1294	1.8672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.705	C1	C2	H6	121.705
C2	C1	H3	121.705	C2	C1	H4	121.705
H3	C1	H4	116.591	H5	C2	H6	116.591

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBE/CEP-121G

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	-0.264
2	C	-0.264
3	H	0.132
4	H	0.132
5	H	0.132
6	H	0.132

<r²>	21.833
(<r²>)^1/2	4.673

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBE/CEP-121G

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)