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	hartrees
Energy at 0K	-78.494830
Energy at 298.15K	-78.498009
HF Energy	-78.402225
Nuclear repulsion energy	33.196875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3176	3176	0.00
2	A_g	1694	1694	0.00
3	A_g	1374	1374	0.00
4	A_u	1064	1064	0.00
5	B_1u	3159	3159	13.57
6	B_1u	1462	1462	6.76
7	B_2g	954	954	0.00
8	B_2u	3274	3274	21.33
9	B_2u	830	830	0.53
10	B_3g	3248	3248	0.00
11	B_3g	1240	1240	0.00
12	B_3u	973	973	76.75

Atom	y (Å)	z (Å)
C1	0.000	0.668
C2	0.000	-0.668
H3	0.931	1.240
H4	-0.931	1.240
H5	-0.931	-1.240
H6	0.931	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3365	1.0925	1.0925	2.1231	2.1231
C2	1.3365		2.1231	2.1231	1.0925	1.0925
H3	1.0925	2.1231		1.8621	3.1010	2.4797
H4	1.0925	2.1231	1.8621		2.4797	3.1010
H5	2.1231	1.0925	3.1010	2.4797		1.8621
H6	2.1231	1.0925	2.4797	3.1010	1.8621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.546	C1	C2	H6	121.546
C2	C1	H3	121.546	C2	C1	H4	121.546
H3	C1	H4	116.908	H5	C2	H6	116.908

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B2PLYP/cc-pCVDZ

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	-0.063
2	C	-0.063
3	H	0.032
4	H	0.032
5	H	0.032
6	H	0.032

<r²>	23.300
(<r²>)^1/2	4.827

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B2PLYP/cc-pCVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)