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	hartrees
Energy at 0K	-78.161048
Energy at 298.15K	-78.164251
HF Energy	-78.161048
Nuclear repulsion energy	33.373128

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	3162	3051	0.00	161.94	0.11	0.21
2	A_g	1710	1650	0.00	5.92	0.13	0.23
3	A_g	1428	1378	0.00	34.23	0.45	0.62
4	A_u	1080	1042	0.00	0.00	0.00	0.00
5	B_1u	3146	3036	13.56	0.00	0.00	0.00
6	B_1u	1536	1482	7.94	0.00	0.00	0.00
7	B_2g	999	964	0.00	1.24	0.75	0.86
8	B_2u	3243	3130	27.75	0.00	0.00	0.00
9	B_2u	875	844	2.15	0.00	0.00	0.00
10	B_3g	3211	3099	0.00	112.07	0.75	0.86
11	B_3g	1286	1241	0.00	1.17	0.75	0.86
12	B_3u	990	956	111.08	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.665
C2	0.000	-0.665
H3	0.922	1.239
H4	-0.922	1.239
H5	-0.922	-1.239
H6	0.922	-1.239

	C1	C2	H3	H4	H5	H6
C1		1.3296	1.0859	1.0859	2.1150	2.1150
C2	1.3296		2.1150	2.1150	1.0859	1.0859
H3	1.0859	2.1150		1.8435	3.0881	2.4775
H4	1.0859	2.1150	1.8435		2.4775	3.0881
H5	2.1150	1.0859	3.0881	2.4775		1.8435
H6	2.1150	1.0859	2.4775	3.0881	1.8435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.909	C1	C2	H6	121.909
C2	C1	H3	121.909	C2	C1	H4	121.909
H3	C1	H4	116.181	H5	C2	H6	116.181

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3LYPultrafine/3-21G

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	-0.373
2	C	-0.373
3	H	0.187
4	H	0.187
5	H	0.187
6	H	0.187

<r²>	23.044
(<r²>)^1/2	4.800

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)