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	hartrees
Energy at 0K	-78.398129
Energy at 298.15K	-78.401291
HF Energy	-78.042293
Nuclear repulsion energy	33.274067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3190	3190
2	A_g	1674	1674
3	A_g	1378	1378
4	A_u	1058	1058
5	B_1u	3173	3173
6	B_1u	1480	1480
7	B_2g	943	943
8	B_2u	3280	3280
9	B_2u	822	822
10	B_3g	3255	3255
11	B_3g	1244	1244
12	B_3u	974	974

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
H3	0.923	1.239
H4	-0.923	1.239
H5	-0.923	-1.239
H6	0.923	-1.239

	C1	C2	H3	H4	H5	H6
C1		1.3382	1.0850	1.0850	2.1200	2.1200
C2	1.3382		2.1200	2.1200	1.0850	1.0850
H3	1.0850	2.1200		1.8459	3.0907	2.4789
H4	1.0850	2.1200	1.8459		2.4789	3.0907
H5	2.1200	1.0850	3.0907	2.4789		1.8459
H6	2.1200	1.0850	2.4789	3.0907	1.8459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.714	C1	C2	H6	121.714
C2	C1	H3	121.714	C2	C1	H4	121.714
H3	C1	H4	116.571	H5	C2	H6	116.571

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: QCISD(T)/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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All results from a given calculation for C2H4 (Ethylene)

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

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)