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	hartrees
Energy at 0K	-78.478635
Energy at 298.15K	-78.481772
HF Energy	-78.478635
Nuclear repulsion energy	32.971107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3059	3043	0.00
2	A_g	1634	1626	0.00
3	A_g	1312	1305	0.00
4	A_u	1010	1005	0.00
5	B_1u	3035	3020	14.20
6	B_1u	1364	1357	8.17
7	B_2g	957	952	0.00
8	B_2u	3164	3148	17.17
9	B_2u	797	792	0.09
10	B_3g	3139	3123	0.00
11	B_3g	1180	1174	0.00
12	B_3u	946	941	92.94

Atom	y (Å)	z (Å)
C1	0.000	0.672
C2	0.000	-0.672
H3	0.940	1.247
H4	-0.940	1.247
H5	-0.940	-1.247
H6	0.940	-1.247

	C1	C2	H3	H4	H5	H6
C1		1.3437	1.1021	1.1021	2.1369	2.1369
C2	1.3437		2.1369	2.1369	1.1021	1.1021
H3	1.1021	2.1369		1.8799	3.1235	2.4944
H4	1.1021	2.1369	1.8799		2.4944	3.1235
H5	2.1369	1.1021	3.1235	2.4944		1.8799
H6	2.1369	1.1021	2.4944	3.1235	1.8799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.471	C1	C2	H6	121.471
C2	C1	H3	121.471	C2	C1	H4	121.471
H3	C1	H4	117.059	H5	C2	H6	117.059

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBE/Sadlej_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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Number	Element	Mulliken
1	C	1.470
2	C	1.470
3	H	-0.735
4	H	-0.735
5	H	-0.735
6	H	-0.735

<r²>	23.697
(<r²>)^1/2	4.868

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBE/Sadlej_pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)