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	hartrees
Energy at 0K	-78.436735
Energy at 298.15K	-78.439934
HF Energy	-78.375238
Nuclear repulsion energy	33.225227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3192	3192	0.00	185.13	0.12	0.21
2	A_g	1707	1707	0.00	5.32	0.15	0.26
3	A_g	1421	1421	0.00	35.37	0.42	0.59
4	A_u	1077	1077	0.00	0.00	0.00	0.00
5	B_1u	3172	3172	18.03	0.00	0.00	0.00
6	B_1u	1536	1536	5.94	0.00	0.00	0.00
7	B_2g	993	993	0.00	1.02	0.75	0.86
8	B_2u	3281	3281	40.73	0.00	0.00	0.00
9	B_2u	867	867	1.56	0.00	0.00	0.00
10	B_3g	3252	3252	0.00	118.86	0.75	0.86
11	B_3g	1282	1282	0.00	1.56	0.75	0.86
12	B_3u	1006	1006	109.56	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
H3	0.922	1.244
H4	-0.922	1.244
H5	-0.922	-1.244
H6	0.922	-1.244

	C1	C2	H3	H4	H5	H6
C1		1.3406	1.0858	1.0858	2.1249	2.1249
C2	1.3406		2.1249	2.1249	1.0858	1.0858
H3	1.0858	2.1249		1.8433	3.0970	2.4887
H4	1.0858	2.1249	1.8433		2.4887	3.0970
H5	2.1249	1.0858	3.0970	2.4887		1.8433
H6	2.1249	1.0858	2.4887	3.0970	1.8433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.917	C1	C2	H6	121.917
C2	C1	H3	121.917	C2	C1	H4	121.917
H3	C1	H4	116.166	H5	C2	H6	116.166

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B2PLYP/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	-0.265
2	C	-0.265
3	H	0.132
4	H	0.132
5	H	0.132
6	H	0.132

<r²>	23.257
(<r²>)^1/2	4.823

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)