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	hartrees
Energy at 0K	-13.640696
Energy at 298.15K	-13.643858
HF Energy	-13.640696
Nuclear repulsion energy	19.186343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3198	3198	0.00
2	A_g	1706	1706	0.00
3	A_g	1380	1380	0.00
4	A_u	1045	1045	0.00
5	B_1u	3170	3170	25.64
6	B_1u	1469	1469	15.19
7	B_2g	979	979	0.00
8	B_2u	3301	3301	72.92
9	B_2u	824	824	4.30
10	B_3g	3255	3255	0.00
11	B_3g	1201	1201	0.00
12	B_3u	988	988	192.80

Atom	y (Å)	z (Å)
C1	0.000	0.684
C2	0.000	-0.684
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		1.3675	1.0947	1.0947	2.1523	2.1523
C2	1.3675		2.1523	2.1523	1.0947	1.0947
H3	1.0947	2.1523		1.8671	3.1291	2.5111
H4	1.0947	2.1523	1.8671		2.5111	3.1291
H5	2.1523	1.0947	3.1291	2.5111		1.8671
H6	2.1523	1.0947	2.5111	3.1291	1.8671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.488	C1	C2	H6	121.488
C2	C1	H3	121.488	C2	C1	H4	121.488
H3	C1	H4	117.025	H5	C2	H6	117.025

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBE1PBE/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	-0.363
2	C	-0.363
3	H	0.182
4	H	0.182
5	H	0.182
6	H	0.182

<r²>	21.706
(<r²>)^1/2	4.659

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBE1PBE/CEP-31G

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)