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	hartrees
Energy at 0K	-13.668238
Energy at 298.15K	-13.671403
HF Energy	-13.668238
Nuclear repulsion energy	19.202287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3203	3042	0.00
2	A_g	1708	1622	0.00
3	A_g	1384	1314	0.00
4	A_u	1047	995	0.00
5	B_1u	3176	3017	28.48
6	B_1u	1475	1401	14.70
7	B_2g	980	931	0.00
8	B_2u	3306	3140	77.52
9	B_2u	827	785	4.05
10	B_3g	3259	3096	0.00
11	B_3g	1206	1145	0.00
12	B_3u	990	941	190.99

Atom	y (Å)	z (Å)
C1	0.000	0.684
C2	0.000	-0.684
H3	0.932	1.255
H4	-0.932	1.255
H5	-0.932	-1.255
H6	0.932	-1.255

	C1	C2	H3	H4	H5	H6
C1		1.3670	1.0933	1.0933	2.1508	2.1508
C2	1.3670		2.1508	2.1508	1.0933	1.0933
H3	1.0933	2.1508		1.8645	3.1263	2.5094
H4	1.0933	2.1508	1.8645		2.5094	3.1263
H5	2.1508	1.0933	3.1263	2.5094		1.8645
H6	2.1508	1.0933	2.5094	3.1263	1.8645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.496	C1	C2	H6	121.496
C2	C1	H3	121.496	C2	C1	H4	121.496
H3	C1	H4	117.008	H5	C2	H6	117.008

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: mPW1PW91/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	-0.357
2	C	-0.357
3	H	0.179
4	H	0.179
5	H	0.179
6	H	0.179

<r²>	21.661
(<r²>)^1/2	4.654

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: mPW1PW91/CEP-31G

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)