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	hartrees
Energy at 0K	-78.529599
Energy at 298.15K	-78.532742
HF Energy	-78.529599
Nuclear repulsion energy	32.841939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3085	3068	0.00
2	A_g	1622	1613	0.00
3	A_g	1348	1340	0.00
4	A_u	1022	1017	0.00
5	B_1u	3061	3044	20.39
6	B_1u	1446	1438	16.20
7	B_2g	959	954	0.00
8	B_2u	3193	3175	61.06
9	B_2u	817	813	5.65
10	B_3g	3152	3135	0.00
11	B_3g	1211	1204	0.00
12	B_3u	961	956	167.96

Atom	y (Å)	z (Å)
C1	0.000	0.679
C2	0.000	-0.679
H3	0.932	1.256
H4	-0.932	1.256
H5	-0.932	-1.256
H6	0.932	-1.256

	C1	C2	H3	H4	H5	H6
C1		1.3590	1.0962	1.0962	2.1486	2.1486
C2	1.3590		2.1486	2.1486	1.0962	1.0962
H3	1.0962	2.1486		1.8643	3.1288	2.5127
H4	1.0962	2.1486	1.8643		2.5127	3.1288
H5	2.1486	1.0962	3.1288	2.5127		1.8643
H6	2.1486	1.0962	2.5127	3.1288	1.8643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.752	C1	C2	H6	121.752
C2	C1	H3	121.752	C2	C1	H4	121.752
H3	C1	H4	116.495	H5	C2	H6	116.495

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: BLYP/SDD

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	-0.404
2	C	-0.404
3	H	0.202
4	H	0.202
5	H	0.202
6	H	0.202

<r²>	23.520
(<r²>)^1/2	4.850

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: BLYP/SDD

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)