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	hartrees
Energy at 0K	-78.498459
Energy at 298.15K	-78.501594
HF Energy	-78.498459
Nuclear repulsion energy	33.262857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3075	3044	0.00
2	A_g	1640	1624	0.00
3	A_g	1339	1326	0.00
4	A_u	1034	1023	0.00
5	B_1u	3061	3030	16.14
6	B_1u	1423	1409	9.90
7	B_2g	936	926	0.00
8	B_2u	3162	3130	19.27
9	B_2u	804	796	0.19
10	B_3g	3134	3103	0.00
11	B_3g	1200	1188	0.00
12	B_3u	939	930	96.60

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.928	1.240
H4	-0.928	1.240
H5	-0.928	-1.240
H6	0.928	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3327	1.0911	1.0911	2.1203	2.1203
C2	1.3327		2.1203	2.1203	1.0911	1.0911
H3	1.0911	2.1203		1.8562	3.0978	2.4801
H4	1.0911	2.1203	1.8562		2.4801	3.0978
H5	2.1203	1.0911	3.0978	2.4801		1.8562
H6	2.1203	1.0911	2.4801	3.0978	1.8562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.721	C1	C2	H6	121.721
C2	C1	H3	121.721	C2	C1	H4	121.721
H3	C1	H4	116.557	H5	C2	H6	116.557

All results from a given calculation for C₂H₄ (Ethylene)

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

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	-0.093
2	C	-0.093
3	H	0.046
4	H	0.046
5	H	0.046
6	H	0.046

<r²>	23.401
(<r²>)^1/2	4.837

All results from a given calculation for C2H4 (Ethylene)

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

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)