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	hartrees
Energy at 0K	-13.537269
Energy at 298.15K	-13.540411
HF Energy	-13.483129
Nuclear repulsion energy	19.106533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3177	3177	0.00
2	A_g	1674	1674	0.00
3	A_g	1373	1373	0.00
4	A_u	1035	1035	0.00
5	B_1u	3151	3151	31.32
6	B_1u	1483	1483	10.97
7	B_2g	909	909	0.00
8	B_2u	3279	3279	85.81
9	B_2u	821	821	3.08
10	B_3g	3231	3231	0.00
11	B_3g	1211	1211	0.00
12	B_3u	972	972	181.31

Atom	y (Å)	z (Å)
C1	0.000	0.689
C2	0.000	-0.689
H3	0.935	1.261
H4	-0.935	1.261
H5	-0.935	-1.261
H6	0.935	-1.261

	C1	C2	H3	H4	H5	H6
C1		1.3783	1.0959	1.0959	2.1627	2.1627
C2	1.3783		2.1627	2.1627	1.0959	1.0959
H3	1.0959	2.1627		1.8698	3.1395	2.5220
H4	1.0959	2.1627	1.8698		2.5220	3.1395
H5	2.1627	1.0959	3.1395	2.5220		1.8698
H6	2.1627	1.0959	2.5220	3.1395	1.8698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.454	C1	C2	H6	121.454
C2	C1	H3	121.454	C2	C1	H4	121.454
H3	C1	H4	117.092	H5	C2	H6	117.092

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B2PLYP/CEP-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	-0.338
2	C	-0.338
3	H	0.169
4	H	0.169
5	H	0.169
6	H	0.169

<r²>	21.950
(<r²>)^1/2	4.685

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B2PLYP/CEP-31G

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)