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	hartrees
Energy at 0K	-78.440513
Energy at 298.15K	-78.443683
HF Energy	-78.382038
Nuclear repulsion energy	33.011665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3183	3183	0.00
2	A_g	1668	1668	0.00
3	A_g	1390	1390	0.00
4	A_u	1055	1055	0.00
5	B_1u	3157	3157	20.61
6	B_1u	1504	1504	14.70
7	B_2g	957	957	0.00
8	B_2u	3292	3292	54.65
9	B_2u	841	841	4.40
10	B_3g	3256	3256	0.00
11	B_3g	1260	1260	0.00
12	B_3u	993	993	160.31

Atom	y (Å)	z (Å)
C1	0.000	0.677
C2	0.000	-0.677
H3	0.926	1.249
H4	-0.926	1.249
H5	-0.926	-1.249
H6	0.926	-1.249

	C1	C2	H3	H4	H5	H6
C1		1.3545	1.0884	1.0884	2.1371	2.1371
C2	1.3545		2.1371	2.1371	1.0884	1.0884
H3	1.0884	2.1371		1.8526	3.1096	2.4974
H4	1.0884	2.1371	1.8526		2.4974	3.1096
H5	2.1371	1.0884	3.1096	2.4974		1.8526
H6	2.1371	1.0884	2.4974	3.1096	1.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.672	C1	C2	H6	121.672
C2	C1	H3	121.672	C2	C1	H4	121.672
H3	C1	H4	116.655	H5	C2	H6	116.655

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B2PLYP/LANL2DZ

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	-0.390
2	C	-0.390
3	H	0.195
4	H	0.195
5	H	0.195
6	H	0.195

<r²>	23.479
(<r²>)^1/2	4.846

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B2PLYP/LANL2DZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)