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	hartrees
Energy at 0K	-78.419030
Energy at 298.15K	-78.422207
HF Energy	-78.062255
Nuclear repulsion energy	33.396080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3173	3026	0.00
2	A_g	1694	1615	0.00
3	A_g	1384	1320	0.00
4	A_u	1061	1012	0.00
5	B_1u	3153	3007	13.43
6	B_1u	1490	1421	8.98
7	B_2g	969	924	0.00
8	B_2u	3261	3110	18.52
9	B_2u	833	794	0.00
10	B_3g	3235	3085	0.00
11	B_3g	1254	1196	0.00
12	B_3u	980	935	92.67

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.922	1.233
H4	-0.922	1.233
H5	-0.922	-1.233
H6	0.922	-1.233

	C1	C2	H3	H4	H5	H6
C1		1.3321	1.0825	1.0825	2.1109	2.1109
C2	1.3321		2.1109	2.1109	1.0825	1.0825
H3	1.0825	2.1109		1.8447	3.0791	2.4654
H4	1.0825	2.1109	1.8447		2.4654	3.0791
H5	2.1109	1.0825	3.0791	2.4654		1.8447
H6	2.1109	1.0825	2.4654	3.0791	1.8447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.562	C1	C2	H6	121.562
C2	C1	H3	121.562	C2	C1	H4	121.562
H3	C1	H4	116.875	H5	C2	H6	116.875

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: QCISD/6-311+G(3df,2p)

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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All results from a given calculation for C2H4 (Ethylene)

using model chemistry: QCISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)