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	hartrees
Energy at 0K	-78.599813
Energy at 298.15K	-78.602983
HF Energy	-78.599813
Nuclear repulsion energy	33.367994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3154	3044	0.00	189.22	0.12	0.21
2	A_g	1696	1637	0.00	7.58	0.03	0.06
3	A_g	1391	1342	0.00	36.09	0.39	0.56
4	A_u	1078	1040	0.00	0.00	0.00	0.00
5	B_1u	3136	3026	19.42	0.00	0.00	0.00
6	B_1u	1480	1428	5.21	0.00	0.00	0.00
7	B_2g	961	927	0.00	0.57	0.75	0.86
8	B_2u	3238	3124	29.86	0.00	0.00	0.00
9	B_2u	816	787	0.27	0.00	0.00	0.00
10	B_3g	3209	3097	0.00	124.44	0.75	0.86
11	B_3g	1241	1198	0.00	1.05	0.75	0.86
12	B_3u	987	953	74.60	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.665
C2	0.000	-0.665
H3	0.922	1.239
H4	-0.922	1.239
H5	-0.922	-1.239
H6	0.922	-1.239

	C1	C2	H3	H4	H5	H6
C1		1.3297	1.0861	1.0861	2.1154	2.1154
C2	1.3297		2.1154	2.1154	1.0861	1.0861
H3	1.0861	2.1154		1.8437	3.0888	2.4782
H4	1.0861	2.1154	1.8437		2.4782	3.0888
H5	2.1154	1.0861	3.0888	2.4782		1.8437
H6	2.1154	1.0861	2.4782	3.0888	1.8437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.920	C1	C2	H6	121.920
C2	C1	H3	121.920	C2	C1	H4	121.920
H3	C1	H4	116.160	H5	C2	H6	116.160

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	-0.276
2	C	-0.276
3	H	0.138
4	H	0.138
5	H	0.138
6	H	0.138

<r²>	22.941
(<r²>)^1/2	4.790

All results from a given calculation for C2H4 (Ethylene)

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

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)