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	hartrees
Energy at 0K	-78.555381
Energy at 298.15K	-78.558544
HF Energy	-78.555381
Nuclear repulsion energy	33.340030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3178	3040	0.00
2	A_g	1723	1649	0.00
3	A_g	1395	1335	0.00
4	A_u	1070	1024	0.00
5	B_1u	3161	3024	18.53
6	B_1u	1487	1422	6.56
7	B_2g	957	916	0.00
8	B_2u	3262	3121	29.54
9	B_2u	832	796	1.17
10	B_3g	3237	3097	0.00
11	B_3g	1243	1189	0.00
12	B_3u	975	933	94.87

Atom	y (Å)	z (Å)
C1	0.000	0.665
C2	0.000	-0.665
H3	0.924	1.239
H4	-0.924	1.239
H5	-0.924	-1.239
H6	0.924	-1.239

	C1	C2	H3	H4	H5	H6
C1		1.3303	1.0877	1.0877	2.1163	2.1163
C2	1.3303		2.1163	2.1163	1.0877	1.0877
H3	1.0877	2.1163		1.8483	3.0910	2.4775
H4	1.0877	2.1163	1.8483		2.4775	3.0910
H5	2.1163	1.0877	3.0910	2.4775		1.8483
H6	2.1163	1.0877	2.4775	3.0910	1.8483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.827	C1	C2	H6	121.827
C2	C1	H3	121.827	C2	C1	H4	121.827
H3	C1	H4	116.346	H5	C2	H6	116.346

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3PW91/6-31G*

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	-0.334
2	C	-0.334
3	H	0.167
4	H	0.167
5	H	0.167
6	H	0.167

<r²>	22.956
(<r²>)^1/2	4.791

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)