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	hartrees
Energy at 0K	-78.129455
Energy at 298.15K	-78.132654
HF Energy	-78.129455
Nuclear repulsion energy	33.358916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3168	3039	0.00
2	A_g	1710	1640	0.00
3	A_g	1426	1368	0.00
4	A_u	1080	1036	0.00
5	B_1u	3151	3023	12.74
6	B_1u	1525	1463	9.78
7	B_2g	1003	962	0.00
8	B_2u	3254	3122	24.06
9	B_2u	874	838	3.06
10	B_3g	3222	3091	0.00
11	B_3g	1281	1229	0.00
12	B_3u	992	952	127.38

Atom	y (Å)	z (Å)
C1	0.000	0.665
C2	0.000	-0.665
H3	0.923	1.238
H4	-0.923	1.238
H5	-0.923	-1.238
H6	0.923	-1.238

	C1	C2	H3	H4	H5	H6
C1		1.3297	1.0869	1.0869	2.1153	2.1153
C2	1.3297		2.1153	2.1153	1.0869	1.0869
H3	1.0869	2.1153		1.8466	3.0892	2.4765
H4	1.0869	2.1153	1.8466		2.4765	3.0892
H5	2.1153	1.0869	3.0892	2.4765		1.8466
H6	2.1153	1.0869	2.4765	3.0892	1.8466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.842	C1	C2	H6	121.842
C2	C1	H3	121.842	C2	C1	H4	121.842
H3	C1	H4	116.316	H5	C2	H6	116.316

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3PW91/3-21G*

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	-0.421
2	C	-0.421
3	H	0.210
4	H	0.210
5	H	0.210
6	H	0.210

<r²>	23.010
(<r²>)^1/2	4.797

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)