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	hartrees
Energy at 0K	-78.491294
Energy at 298.15K	-78.494429
HF Energy	-78.491294
Nuclear repulsion energy	33.204561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3075	3047	0.00
2	A_g	1645	1630	0.00
3	A_g	1340	1328	0.00
4	A_u	1037	1028	0.00
5	B_1u	3060	3032	19.55
6	B_1u	1419	1406	9.08
7	B_2g	923	915	0.00
8	B_2u	3162	3133	28.34
9	B_2u	805	797	1.03
10	B_3g	3133	3105	0.00
11	B_3g	1195	1184	0.00
12	B_3u	935	927	98.60

Atom	y (Å)	z (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.930	1.243
H4	-0.930	1.243
H5	-0.930	-1.243
H6	0.930	-1.243

	C1	C2	H3	H4	H5	H6
C1		1.3349	1.0931	1.0931	2.1242	2.1242
C2	1.3349		2.1242	2.1242	1.0931	1.0931
H3	1.0931	2.1242		1.8593	3.1036	2.4850
H4	1.0931	2.1242	1.8593		2.4850	3.1036
H5	2.1242	1.0931	3.1036	2.4850		1.8593
H6	2.1242	1.0931	2.4850	3.1036	1.8593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.741	C1	C2	H6	121.741
C2	C1	H3	121.741	C2	C1	H4	121.741
H3	C1	H4	116.518	H5	C2	H6	116.518

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBEultrafine/6-311G**

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	-0.236
2	C	-0.236
3	H	0.118
4	H	0.118
5	H	0.118
6	H	0.118

<r²>	23.316
(<r²>)^1/2	4.829

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBEultrafine/6-311G**

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)