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	hartrees
Energy at 0K	-78.577991
Energy at 298.15K	-78.581145
HF Energy	-78.577991
Nuclear repulsion energy	33.282700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3061	3061	0.00
2	A_g	1638	1638	0.00
3	A_g	1347	1347	0.00
4	A_u	1039	1039	0.00
5	B_1u	3049	3049	21.47
6	B_1u	1445	1445	7.20
7	B_2g	940	940	0.00
8	B_2u	3143	3143	29.89
9	B_2u	818	818	0.19
10	B_3g	3114	3114	0.00
11	B_3g	1216	1216	0.00
12	B_3u	945	945	86.14

Atom	y (Å)	z (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.925	1.240
H4	-0.925	1.240
H5	-0.925	-1.240
H6	0.925	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3333	1.0889	1.0889	2.1198	2.1198
C2	1.3333		2.1198	2.1198	1.0889	1.0889
H3	1.0889	2.1198		1.8509	3.0953	2.4809
H4	1.0889	2.1198	1.8509		2.4809	3.0953
H5	2.1198	1.0889	3.0953	2.4809		1.8509
H6	2.1198	1.0889	2.4809	3.0953	1.8509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.799	C1	C2	H6	121.799
C2	C1	H3	121.799	C2	C1	H4	121.799
H3	C1	H4	116.401	H5	C2	H6	116.401

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: BLYP/cc-pCVTZ

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	-0.216
2	C	-0.216
3	H	0.108
4	H	0.108
5	H	0.108
6	H	0.108

<r²>	23.380
(<r²>)^1/2	4.835

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: BLYP/cc-pCVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)