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	hartrees
Energy at 0K	-78.478528
Energy at 298.15K	-78.481685
HF Energy	-78.478528
Nuclear repulsion energy	33.034637

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	3080	3080	0.00	242.52	0.10	0.18
2	A_g	1637	1637	0.00	33.96	0.01	0.02
3	A_g	1332	1332	0.00	37.63	0.22	0.36
4	A_u	1051	1051	0.00	0.00	0.00	0.00
5	B_1u	3068	3068	17.87	0.00	0.00	0.00
6	B_1u	1411	1411	9.06	0.00	0.00	0.00
7	B_2g	990	990	0.00	1.48	0.75	0.86
8	B_2u	3179	3179	21.54	0.00	0.00	0.00
9	B_2u	799	799	0.15	0.00	0.00	0.00
10	B_3g	3152	3152	0.00	133.72	0.75	0.86
11	B_3g	1191	1191	0.00	0.02	0.75	0.86
12	B_3u	960	960	95.25	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.671
C2	0.000	-0.671
H3	0.935	1.248
H4	-0.935	1.248
H5	-0.935	-1.248
H6	0.935	-1.248

	C1	C2	H3	H4	H5	H6
C1		1.3424	1.0982	1.0982	2.1347	2.1347
C2	1.3424		2.1347	2.1347	1.0982	1.0982
H3	1.0982	2.1347		1.8691	3.1183	2.4961
H4	1.0982	2.1347	1.8691		2.4961	3.1183
H5	2.1347	1.0982	3.1183	2.4961		1.8691
H6	2.1347	1.0982	2.4961	3.1183	1.8691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.684	C1	C2	H6	121.684
C2	C1	H3	121.684	C2	C1	H4	121.684
H3	C1	H4	116.632	H5	C2	H6	116.632

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBE/daug-cc-pVDZ

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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Number	Element	Mulliken
1	C	1.412
2	C	1.412
3	H	-0.706
4	H	-0.706
5	H	-0.706
6	H	-0.706

<r²>	23.643
(<r²>)^1/2	4.862

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)