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	hartrees
Energy at 0K	-78.600625
Energy at 298.15K	-78.603807
HF Energy	-78.600625
Nuclear repulsion energy	33.539009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3163	3163	0.00
2	A_g	1704	1704	0.00
3	A_g	1384	1384	0.00
4	A_u	1071	1071	0.00
5	B_1u	3148	3148	14.76
6	B_1u	1474	1474	11.17
7	B_2g	992	992	0.00
8	B_2u	3251	3251	17.34
9	B_2u	830	830	0.10
10	B_3g	3224	3224	0.00
11	B_3g	1245	1245	0.00
12	B_3u	983	983	98.94

Atom	y (Å)	z (Å)
C1	0.000	0.661
C2	0.000	-0.661
H3	0.921	1.229
H4	-0.921	1.229
H5	-0.921	-1.229
H6	0.921	-1.229

	C1	C2	H3	H4	H5	H6
C1		1.3218	1.0821	1.0821	2.1025	2.1025
C2	1.3218		2.1025	2.1025	1.0821	1.0821
H3	1.0821	2.1025		1.8419	3.0717	2.4582
H4	1.0821	2.1025	1.8419		2.4582	3.0717
H5	2.1025	1.0821	3.0717	2.4582		1.8419
H6	2.1025	1.0821	2.4582	3.0717	1.8419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.673	C1	C2	H6	121.673
C2	C1	H3	121.673	C2	C1	H4	121.673
H3	C1	H4	116.654	H5	C2	H6	116.654

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: mPW1PW91/aug-cc-pVQZ

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	-0.852
2	C	-0.852
3	H	0.426
4	H	0.426
5	H	0.426
6	H	0.426

<r²>	23.025
(<r²>)^1/2	4.798

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: mPW1PW91/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)