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	hartrees
Energy at 0K	-78.471392
Energy at 298.15K	-78.474580
HF Energy	-78.471392
Nuclear repulsion energy	33.158150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3200	3200	0.00
2	A_g	1698	1698	0.00
3	A_g	1399	1399	0.00
4	A_u	1064	1064	0.00
5	B_1u	3173	3173	17.67
6	B_1u	1492	1492	19.57
7	B_2g	1021	1021	0.00
8	B_2u	3308	3308	47.67
9	B_2u	846	846	5.47
10	B_3g	3272	3272	0.00
11	B_3g	1250	1250	0.00
12	B_3u	1006	1006	173.07

Atom	y (Å)	z (Å)
C1	0.000	0.672
C2	0.000	-0.672
H3	0.925	1.244
H4	-0.925	1.244
H5	-0.925	-1.244
H6	0.925	-1.244

	C1	C2	H3	H4	H5	H6
C1		1.3441	1.0877	1.0877	2.1277	2.1277
C2	1.3441		2.1277	2.1277	1.0877	1.0877
H3	1.0877	2.1277		1.8502	3.1006	2.4881
H4	1.0877	2.1277	1.8502		2.4881	3.1006
H5	2.1277	1.0877	3.1006	2.4881		1.8502
H6	2.1277	1.0877	2.4881	3.1006	1.8502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.729	C1	C2	H6	121.729
C2	C1	H3	121.729	C2	C1	H4	121.729
H3	C1	H4	116.542	H5	C2	H6	116.542

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBE1PBE/LANL2DZ

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	-0.419
2	C	-0.419
3	H	0.210
4	H	0.210
5	H	0.210
6	H	0.210

<r²>	23.233
(<r²>)^1/2	4.820

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBE1PBE/LANL2DZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)