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	hartrees
Energy at 0K	-78.482376
Energy at 298.15K	-78.485565
HF Energy	-78.064781
Nuclear repulsion energy	33.414425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3191	3191
2	A_g	1683	1683
3	A_g	1382	1382
4	A_u	1094	1094
5	B_1u	3145	3145
6	B_1u	1499	1499
7	B_2g	979	979
8	B_2u	3231	3231
9	B_2u	875	875
10	B_3g	3208	3208
11	B_3g	1272	1272
12	B_3u	958	958

Atom	y (Å)	z (Å)
C1	0.000	0.667
C2	0.000	-0.667
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		1.3337	1.0801	1.0801	2.1087	2.1087
C2	1.3337		2.1087	2.1087	1.0801	1.0801
H3	1.0801	2.1087		1.8439	3.0737	2.4593
H4	1.0801	2.1087	1.8439		2.4593	3.0737
H5	2.1087	1.0801	3.0737	2.4593		1.8439
H6	2.1087	1.0801	2.4593	3.0737	1.8439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.401	C1	C2	H6	121.401
C2	C1	H3	121.401	C2	C1	H4	121.401
H3	C1	H4	117.199	H5	C2	H6	117.199

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: CCSD(T)=FULL/daug-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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All results from a given calculation for C2H4 (Ethylene)

using model chemistry: CCSD(T)=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)