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	hartrees
Energy at 0K	-78.520289
Energy at 298.15K	-78.523473
HF Energy	-78.520289
Nuclear repulsion energy	33.511012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3157	3157	0.00
2	A_g	1703	1703	0.00
3	A_g	1380	1380	0.00
4	A_u	1071	1071	0.00
5	B_1u	3141	3141	15.26
6	B_1u	1467	1467	11.08
7	B_2g	987	987	0.00
8	B_2u	3245	3245	19.73
9	B_2u	828	828	0.34
10	B_3g	3218	3218	0.00
11	B_3g	1240	1240	0.00
12	B_3u	980	980	96.93

Atom	y (Å)	z (Å)
C1	0.000	0.661
C2	0.000	-0.661
H3	0.922	1.230
H4	-0.922	1.230
H5	-0.922	-1.230
H6	0.922	-1.230

	C1	C2	H3	H4	H5	H6
C1		1.3223	1.0836	1.0836	2.1042	2.1042
C2	1.3223		2.1042	2.1042	1.0836	1.0836
H3	1.0836	2.1042		1.8444	3.0749	2.4604
H4	1.0836	2.1042	1.8444		2.4604	3.0749
H5	2.1042	1.0836	3.0749	2.4604		1.8444
H6	2.1042	1.0836	2.4604	3.0749	1.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.676	C1	C2	H6	121.676
C2	C1	H3	121.676	C2	C1	H4	121.676
H3	C1	H4	116.647	H5	C2	H6	116.647

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: HSEh1PBE/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	-0.252
2	C	-0.252
3	H	0.126
4	H	0.126
5	H	0.126
6	H	0.126

<r²>	23.012
(<r²>)^1/2	4.797

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: HSEh1PBE/cc-pCVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)