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	hartrees
Energy at 0K	-78.474200
Energy at 298.15K	-78.477336
HF Energy	-78.474200
Nuclear repulsion energy	33.030136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3082	3082	0.00
2	A_g	1650	1650	0.00
3	A_g	1327	1327	0.00
4	A_u	1030	1030	0.00
5	B_1u	3065	3065	15.34
6	B_1u	1394	1394	6.61
7	B_2g	913	913	0.00
8	B_2u	3178	3178	21.05
9	B_2u	798	798	1.04
10	B_3g	3151	3151	0.00
11	B_3g	1188	1188	0.00
12	B_3u	930	930	73.46

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
H3	0.937	1.248
H4	-0.937	1.248
H5	-0.937	-1.248
H6	0.937	-1.248

	C1	C2	H3	H4	H5	H6
C1		1.3397	1.1012	1.1012	2.1346	2.1346
C2	1.3397		2.1346	2.1346	1.1012	1.1012
H3	1.1012	2.1346		1.8746	3.1214	2.4959
H4	1.1012	2.1346	1.8746		2.4959	3.1214
H5	2.1346	1.1012	3.1214	2.4959		1.8746
H6	2.1346	1.1012	2.4959	3.1214	1.8746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.665	C1	C2	H6	121.665
C2	C1	H3	121.665	C2	C1	H4	121.665
H3	C1	H4	116.670	H5	C2	H6	116.670

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBE/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	-0.061
2	C	-0.061
3	H	0.031
4	H	0.031
5	H	0.031
6	H	0.031

<r²>	23.407
(<r²>)^1/2	4.838

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBE/cc-pCVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)