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	hartrees
Energy at 0K	-153.778439
Energy at 298.15K
HF Energy	-153.778439
Nuclear repulsion energy	75.898039

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	3116	3116	16.16	221.60	0.07	0.13
2	A₁	1547	1547	3.43	3.30	0.19	0.32
3	A₁	1331	1331	17.18	29.31	0.12	0.22
4	A₁	1164	1164	0.04	2.25	0.27	0.43
5	A₁	932	932	70.29	8.08	0.69	0.82
6	A₂	3194	3194	0.00	108.58	0.75	0.86
7	A₂	1173	1173	0.00	1.31	0.75	0.86
8	A₂	1058	1058	0.00	0.05	0.75	0.86
9	B₁	3209	3209	38.85	20.32	0.75	0.86
10	B₁	1184	1184	4.48	3.93	0.75	0.86
11	B₁	819	819	0.24	2.66	0.75	0.86
12	B₂	3108	3108	34.73	9.59	0.75	0.86
13	B₂	1504	1504	0.24	3.42	0.75	0.86
14	B₂	1169	1169	0.20	0.29	0.75	0.86
15	B₂	908	908	10.55	3.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.843
C2	0.000	0.728	-0.367
C3	0.000	-0.728	-0.367
H4	0.917	1.261	-0.585
H5	-0.917	1.261	-0.585
H6	-0.917	-1.261	-0.585
H7	0.917	-1.261	-0.585

	O1	C2	C3	H4	H5	H6	H7
O1		1.4122	1.4122	2.1141	2.1141	2.1141	2.1141
C2	1.4122		1.4564	1.0827	1.0827	2.2015	2.2015
C3	1.4122	1.4564		2.2015	2.2015	1.0827	1.0827
H4	2.1141	1.0827	2.2015		1.8338	3.1189	2.5228
H5	2.1141	1.0827	2.2015	1.8338		2.5228	3.1189
H6	2.1141	2.2015	1.0827	3.1189	2.5228		1.8338
H7	2.1141	2.2015	1.0827	2.5228	3.1189	1.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.960	O1	C2	H4	115.218
O1	C2	H5	115.218	O1	C3	C2	58.960
O1	C3	H6	115.218	O1	C3	H7	115.218
C2	O1	C3	62.079	C2	C3	H6	119.503
C2	C3	H7	119.503	C3	C2	H4	119.503
C3	C2	H5	119.503	H4	C2	H5	115.736
H6	C3	H7	115.736

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

using model chemistry: B1B95/6-311+G(3df,2p)

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	-0.518
2	C	-0.032
3	C	-0.032
4	H	0.146
5	H	0.146
6	H	0.146
7	H	0.146

	x	y	z	Total
	0.000	0.000	-1.868	1.868
CHELPG
AIM
ESP

<r²>	36.113
(<r²>)^1/2	6.009

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

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

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