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	hartrees
Energy at 0K	-78.551473
Energy at 298.15K	-78.554656
HF Energy	-78.434709
Nuclear repulsion energy	33.498135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3167	3167	0.00
2	A_g	1686	1686	0.00
3	A_g	1384	1384	0.00
4	A_u	1070	1070	0.00
5	B_1u	3153	3153	14.29
6	B_1u	1488	1488	9.30
7	B_2g	982	982	0.00
8	B_2u	3257	3257	17.86
9	B_2u	836	836	0.02
10	B_3g	3230	3230	0.00
11	B_3g	1255	1255	0.00
12	B_3u	984	984	95.00

Atom	y (Å)	z (Å)
C1	0.000	0.664
C2	0.000	-0.664
H3	0.920	1.229
H4	-0.920	1.229
H5	-0.920	-1.229
H6	0.920	-1.229

	C1	C2	H3	H4	H5	H6
C1		1.3270	1.0802	1.0802	2.1045	2.1045
C2	1.3270		2.1045	2.1045	1.0802	1.0802
H3	1.0802	2.1045		1.8406	3.0709	2.4581
H4	1.0802	2.1045	1.8406		2.4581	3.0709
H5	2.1045	1.0802	3.0709	2.4581		1.8406
H6	2.1045	1.0802	2.4581	3.0709	1.8406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.571	C1	C2	H6	121.571
C2	C1	H3	121.571	C2	C1	H4	121.571
H3	C1	H4	116.858	H5	C2	H6	116.858

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B2PLYP/aug-cc-pVQZ

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	-0.864
2	C	-0.864
3	H	0.432
4	H	0.432
5	H	0.432
6	H	0.432

<r²>	23.166
(<r²>)^1/2	4.813

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B2PLYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)