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	hartrees
Energy at 0K	-78.516361
Energy at 298.15K	-78.519540
HF Energy	-78.516361
Nuclear repulsion energy	33.501460

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	3157	3157	0.00	197.27	0.11	0.20
2	A_g	1700	1700	0.00	35.43	0.02	0.04
3	A_g	1381	1381	0.00	37.45	0.25	0.40
4	A_u	1068	1068	0.00	0.00	0.00	0.00
5	B_1u	3140	3140	14.15	0.00	0.00	0.00
6	B_1u	1467	1467	12.13	0.00	0.00	0.00
7	B_2g	988	988	0.00	3.20	0.75	0.86
8	B_2u	3245	3245	16.88	0.00	0.00	0.00
9	B_2u	827	827	0.15	0.00	0.00	0.00
10	B_3g	3217	3217	0.00	118.72	0.75	0.86
11	B_3g	1238	1238	0.00	0.26	0.75	0.86
12	B_3u	981	981	102.01	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.661
C2	0.000	-0.661
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		1.3229	1.0836	1.0836	2.1051	2.1051
C2	1.3229		2.1051	2.1051	1.0836	1.0836
H3	1.0836	2.1051		1.8438	3.0758	2.4620
H4	1.0836	2.1051	1.8438		2.4620	3.0758
H5	2.1051	1.0836	3.0758	2.4620		1.8438
H6	2.1051	1.0836	2.4620	3.0758	1.8438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.707	C1	C2	H6	121.707
C2	C1	H3	121.707	C2	C1	H4	121.707
H3	C1	H4	116.587	H5	C2	H6	116.587

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.249
2	C	-0.249
3	H	0.125
4	H	0.125
5	H	0.125
6	H	0.125

<r²>	23.093
(<r²>)^1/2	4.806

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)