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	hartrees
Energy at 0K	-152.926931
Energy at 298.15K
HF Energy	-152.926931
Nuclear repulsion energy	73.125226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3132	3022	4.12	169.22	0.10	0.18
2	A₁	1570	1515	0.06	7.16	0.74	0.85
3	A₁	1225	1182	6.56	18.05	0.13	0.23
4	A₁	1127	1087	7.01	5.90	0.38	0.55
5	A₁	827	798	26.66	10.60	0.74	0.85
6	A₂	3206	3094	0.00	97.26	0.75	0.86
7	A₂	1197	1155	0.00	6.41	0.75	0.86
8	A₂	991	956	0.00	0.00	0.75	0.86
9	B₁	3226	3113	44.89	13.48	0.75	0.86
10	B₁	1110	1071	0.69	19.22	0.75	0.86
11	B₁	840	811	0.06	11.62	0.75	0.86
12	B₂	3122	3013	23.74	7.87	0.75	0.86
13	B₂	1552	1497	0.01	6.25	0.75	0.86
14	B₂	1125	1085	15.11	3.18	0.75	0.86
15	B₂	781	754	5.74	7.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.906
C2	0.000	0.744	-0.395
C3	0.000	-0.744	-0.395
H4	0.921	1.271	-0.628
H5	-0.921	1.271	-0.628
H6	-0.921	-1.271	-0.628
H7	0.921	-1.271	-0.628

	O1	C2	C3	H4	H5	H6	H7
O1		1.4992	1.4992	2.1945	2.1945	2.1945	2.1945
C2	1.4992		1.4887	1.0857	1.0857	2.2277	2.2277
C3	1.4992	1.4887		2.2277	2.2277	1.0857	1.0857
H4	2.1945	1.0857	2.2277		1.8410	3.1386	2.5419
H5	2.1945	1.0857	2.2277	1.8410		2.5419	3.1386
H6	2.1945	2.2277	1.0857	3.1386	2.5419		1.8410
H7	2.1945	2.2277	1.0857	2.5419	3.1386	1.8410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.233	O1	C2	H4	115.263
O1	C2	H5	115.263	O1	C3	C2	60.233
O1	C3	H6	115.263	O1	C3	H7	115.263
C2	O1	C3	59.534	C2	C3	H6	119.017
C2	C3	H7	119.017	C3	C2	H4	119.017
C3	C2	H5	119.017	H4	C2	H5	115.954
H6	C3	H7	115.954

All results from a given calculation for C₂H₄O (Ethylene oxide)

using model chemistry: B3LYP/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	O	-0.423
2	C	-0.204
3	C	-0.204
4	H	0.208
5	H	0.208
6	H	0.208
7	H	0.208

	x	y	z	Total
	0.000	0.000	-2.281	2.281
CHELPG
AIM
ESP	0.023	0.000	-2.318	2.318

<r²>	37.810
(<r²>)^1/2	6.149

All results from a given calculation for C2H4O (Ethylene oxide)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂H₄O (Ethylene oxide)