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	hartrees
Energy at 0K	-78.502084
Energy at 298.15K	-78.505228
HF Energy	-78.502084
Nuclear repulsion energy	33.264458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3070	3070	0.00
2	A_g	1642	1642	0.00
3	A_g	1339	1339	0.00
4	A_u	1037	1037	0.00
5	B_1u	3056	3056	18.02
6	B_1u	1422	1422	8.91
7	B_2g	934	934	0.00
8	B_2u	3157	3157	23.49
9	B_2u	803	803	0.40
10	B_3g	3129	3129	0.00
11	B_3g	1200	1200	0.00
12	B_3u	939	939	89.12

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.928	1.240
H4	-0.928	1.240
H5	-0.928	-1.240
H6	0.928	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3323	1.0914	1.0914	2.1202	2.1202
C2	1.3323		2.1202	2.1202	1.0914	1.0914
H3	1.0914	2.1202		1.8567	3.0980	2.4800
H4	1.0914	2.1202	1.8567		2.4800	3.0980
H5	2.1202	1.0914	3.0980	2.4800		1.8567
H6	2.1202	1.0914	2.4800	3.0980	1.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.722	C1	C2	H6	121.722
C2	C1	H3	121.722	C2	C1	H4	121.722
H3	C1	H4	116.556	H5	C2	H6	116.556

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBEultrafine/cc-pCVTZ

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	-0.266
2	C	-0.266
3	H	0.133
4	H	0.133
5	H	0.133
6	H	0.133

<r²>	23.306
(<r²>)^1/2	4.828

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBEultrafine/cc-pCVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)