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	hartrees
Energy at 0K	-78.498481
Energy at 298.15K	-78.501621
HF Energy	-78.498481
Nuclear repulsion energy	33.229865

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	3077	3041	0.00	230.08	0.14	0.25
2	A_g	1644	1626	0.00	13.65	0.02	0.03
3	A_g	1345	1330	0.00	33.17	0.34	0.51
4	A_u	1033	1022	0.00	0.00	0.00	0.00
5	B_1u	3063	3029	17.27	0.00	0.00	0.00
6	B_1u	1426	1409	9.70	0.00	0.00	0.00
7	B_2g	932	921	0.00	0.55	0.75	0.86
8	B_2u	3164	3128	23.01	0.00	0.00	0.00
9	B_2u	810	801	1.18	0.00	0.00	0.00
10	B_3g	3136	3100	0.00	127.65	0.75	0.86
11	B_3g	1201	1187	0.00	0.46	0.75	0.86
12	B_3u	940	929	108.80	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.929	1.242
H4	-0.929	1.242
H5	-0.929	-1.242
H6	0.929	-1.242

	C1	C2	H3	H4	H5	H6
C1		1.3338	1.0924	1.0924	2.1226	2.1226
C2	1.3338		2.1226	2.1226	1.0924	1.0924
H3	1.0924	2.1226		1.8578	3.1014	2.4835
H4	1.0924	2.1226	1.8578		2.4835	3.1014
H5	2.1226	1.0924	3.1014	2.4835		1.8578
H6	2.1226	1.0924	2.4835	3.1014	1.8578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.751	C1	C2	H6	121.751
C2	C1	H3	121.751	C2	C1	H4	121.751
H3	C1	H4	116.497	H5	C2	H6	116.497

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.233
2	C	-0.233
3	H	0.117
4	H	0.117
5	H	0.117
6	H	0.117

<r²>	23.389
(<r²>)^1/2	4.836

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)