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	hartrees
Energy at 0K	-78.587797
Energy at 298.15K	-78.590974
HF Energy	-78.587797
Nuclear repulsion energy	33.489684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3147	3026	0.00
2	A_g	1696	1631	0.00
3	A_g	1378	1325	0.00
4	A_u	1067	1026	0.00
5	B_1u	3132	3011	16.31
6	B_1u	1467	1411	10.49
7	B_2g	980	943	0.00
8	B_2u	3234	3110	21.05
9	B_2u	828	796	0.32
10	B_3g	3206	3083	0.00
11	B_3g	1238	1190	0.00
12	B_3u	975	938	95.87

Atom	y (Å)	z (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.922	1.231
H4	-0.922	1.231
H5	-0.922	-1.231
H6	0.922	-1.231

	C1	C2	H3	H4	H5	H6
C1		1.3235	1.0839	1.0839	2.1058	2.1058
C2	1.3235		2.1058	2.1058	1.0839	1.0839
H3	1.0839	2.1058		1.8443	3.0768	2.4628
H4	1.0839	2.1058	1.8443		2.4628	3.0768
H5	2.1058	1.0839	3.0768	2.4628		1.8443
H6	2.1058	1.0839	2.4628	3.0768	1.8443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.704	C1	C2	H6	121.704
C2	C1	H3	121.704	C2	C1	H4	121.704
H3	C1	H4	116.592	H5	C2	H6	116.592

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3PW91/cc-pVTZ

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	-0.230
2	C	-0.230
3	H	0.115
4	H	0.115
5	H	0.115
6	H	0.115

<r²>	23.012
(<r²>)^1/2	4.797

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)