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	hartrees
Energy at 0K	-78.595412
Energy at 298.15K	-78.598584
HF Energy	-78.595412
Nuclear repulsion energy	33.403462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3154	3044	0.00	179.53	0.12	0.21
2	A_g	1698	1639	0.00	7.79	0.03	0.06
3	A_g	1386	1337	0.00	35.80	0.41	0.58
4	A_u	1073	1035	0.00	0.00	0.00	0.00
5	B_1u	3137	3028	15.27	0.00	0.00	0.00
6	B_1u	1472	1421	6.24	0.00	0.00	0.00
7	B_2g	969	935	0.00	0.48	0.75	0.86
8	B_2u	3237	3123	24.88	0.00	0.00	0.00
9	B_2u	824	795	0.27	0.00	0.00	0.00
10	B_3g	3209	3097	0.00	118.00	0.75	0.86
11	B_3g	1237	1194	0.00	1.14	0.75	0.86
12	B_3u	983	949	69.76	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.664
C2	0.000	-0.664
H3	0.921	1.238
H4	-0.921	1.238
H5	-0.921	-1.238
H6	0.921	-1.238

	C1	C2	H3	H4	H5	H6
C1		1.3273	1.0858	1.0858	2.1133	2.1133
C2	1.3273		2.1133	2.1133	1.0858	1.0858
H3	1.0858	2.1133		1.8425	3.0868	2.4766
H4	1.0858	2.1133	1.8425		2.4766	3.0868
H5	2.1133	1.0858	3.0868	2.4766		1.8425
H6	2.1133	1.0858	2.4766	3.0868	1.8425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.952	C1	C2	H6	121.952
C2	C1	H3	121.952	C2	C1	H4	121.952
H3	C1	H4	116.096	H5	C2	H6	116.096

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3LYP/6-31G(2df,p)

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>	22.957
(<r²>)^1/2	4.791

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)