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	hartrees
Energy at 0K	-153.808995
Energy at 298.15K
HF Energy	-153.808995
Nuclear repulsion energy	75.782988

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	3112	3112	15.38	235.77	0.07	0.13
2	A₁	1555	1555	3.14	1.88	0.37	0.54
3	A₁	1327	1327	16.89	28.76	0.13	0.23
4	A₁	1172	1172	0.14	1.44	0.40	0.57
5	A₁	923	923	70.07	9.19	0.70	0.82
6	A₂	3189	3189	0.00	109.65	0.75	0.86
7	A₂	1182	1182	0.00	1.11	0.75	0.86
8	A₂	1062	1062	0.00	0.06	0.75	0.86
9	B₁	3204	3204	42.13	18.74	0.75	0.86
10	B₁	1188	1188	4.41	5.38	0.75	0.86
11	B₁	830	830	0.10	3.77	0.75	0.86
12	B₂	3105	3105	37.74	9.70	0.75	0.86
13	B₂	1512	1512	0.19	4.14	0.75	0.86
14	B₂	1175	1175	0.62	0.73	0.75	0.86
15	B₂	903	903	11.05	3.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.844
C2	0.000	0.729	-0.367
C3	0.000	-0.729	-0.367
H4	0.918	1.263	-0.588
H5	-0.918	1.263	-0.588
H6	-0.918	-1.263	-0.588
H7	0.918	-1.263	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4142	1.4142	2.1185	2.1185	2.1185	2.1185
C2	1.4142		1.4588	1.0843	1.0843	2.2044	2.2044
C3	1.4142	1.4588		2.2044	2.2044	1.0843	1.0843
H4	2.1185	1.0843	2.2044		1.8359	3.1221	2.5253
H5	2.1185	1.0843	2.2044	1.8359		2.5253	3.1221
H6	2.1185	2.2044	1.0843	3.1221	2.5253		1.8359
H7	2.1185	2.2044	1.0843	2.5253	3.1221	1.8359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.951	O1	C2	H4	115.337
O1	C2	H5	115.337	O1	C3	C2	58.951
O1	C3	H6	115.337	O1	C3	H7	115.337
C2	O1	C3	62.098	C2	C3	H6	119.458
C2	C3	H7	119.458	C3	C2	H4	119.458
C3	C2	H5	119.458	H4	C2	H5	115.691
H6	C3	H7	115.691

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

using model chemistry: wB97X-D/cc-pVQZ

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	-0.355
2	C	0.149
3	C	0.149
4	H	0.014
5	H	0.014
6	H	0.014
7	H	0.014

	x	y	z	Total
	0.000	0.000	-1.863	1.863
CHELPG
AIM
ESP

<r²>	36.122
(<r²>)^1/2	6.010

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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