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	hartrees
Energy at 0K	-78.561388
Energy at 298.15K	-78.564554
HF Energy	-78.561388
Nuclear repulsion energy	33.361544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3172	3040	0.00
2	A_g	1718	1646	0.00
3	A_g	1387	1329	0.00
4	A_u	1069	1024	0.00
5	B_1u	3154	3023	16.71
6	B_1u	1474	1413	6.91
7	B_2g	961	921	0.00
8	B_2u	3261	3125	26.95
9	B_2u	828	794	1.05
10	B_3g	3235	3101	0.00
11	B_3g	1235	1184	0.00
12	B_3u	975	934	90.47

Atom	y (Å)	z (Å)
C1	0.000	0.665
C2	0.000	-0.665
H3	0.924	1.237
H4	-0.924	1.237
H5	-0.924	-1.237
H6	0.924	-1.237

	C1	C2	H3	H4	H5	H6
C1		1.3296	1.0869	1.0869	2.1146	2.1146
C2	1.3296		2.1146	2.1146	1.0869	1.0869
H3	1.0869	2.1146		1.8480	3.0884	2.4745
H4	1.0869	2.1146	1.8480		2.4745	3.0884
H5	2.1146	1.0869	3.0884	2.4745		1.8480
H6	2.1146	1.0869	2.4745	3.0884	1.8480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.779	C1	C2	H6	121.779
C2	C1	H3	121.779	C2	C1	H4	121.779
H3	C1	H4	116.442	H5	C2	H6	116.442

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3PW91/6-31G**

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	-0.255
2	C	-0.255
3	H	0.128
4	H	0.128
5	H	0.128
6	H	0.128

<r²>	22.935
(<r²>)^1/2	4.789

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)