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	hartrees
Energy at 0K	-78.625355
Energy at 298.15K	-78.628534
HF Energy	-78.625355
Nuclear repulsion energy	33.487500

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	3143	3143	0.00	218.03	0.13	0.23
2	A_g	1692	1692	0.00	16.93	0.02	0.04
3	A_g	1382	1382	0.00	37.05	0.30	0.46
4	A_u	1064	1064	0.00	0.00	0.00	0.00
5	B_1u	3129	3129	16.88	0.00	0.00	0.00
6	B_1u	1479	1479	9.57	0.00	0.00	0.00
7	B_2g	985	985	0.00	2.16	0.75	0.86
8	B_2u	3228	3228	22.18	0.00	0.00	0.00
9	B_2u	837	837	0.18	0.00	0.00	0.00
10	B_3g	3200	3200	0.00	121.19	0.75	0.86
11	B_3g	1247	1247	0.00	0.37	0.75	0.86
12	B_3u	979	979	99.27	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.921	1.232
H4	-0.921	1.232
H5	-0.921	-1.232
H6	0.921	-1.232

	C1	C2	H3	H4	H5	H6
C1		1.3249	1.0827	1.0827	2.1063	2.1063
C2	1.3249		2.1063	2.1063	1.0827	1.0827
H3	1.0827	2.1063		1.8417	3.0760	2.4637
H4	1.0827	2.1063	1.8417		2.4637	3.0760
H5	2.1063	1.0827	3.0760	2.4637		1.8417
H6	2.1063	1.0827	2.4637	3.0760	1.8417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.731	C1	C2	H6	121.731
C2	C1	H3	121.731	C2	C1	H4	121.731
H3	C1	H4	116.538	H5	C2	H6	116.538

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3LYPultrafine/Def2TZVPP

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	-0.204
2	C	-0.204
3	H	0.102
4	H	0.102
5	H	0.102
6	H	0.102

<r²>	23.169
(<r²>)^1/2	4.813

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)