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	hartrees
Energy at 0K	-152.749930
Energy at 298.15K
HF Energy	-152.749930
Nuclear repulsion energy	73.452953

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	3155	3028	3.35	167.34	0.10	0.18
2	A₁	1569	1506	0.01	5.97	0.75	0.85
3	A₁	1246	1196	7.02	20.45	0.14	0.25
4	A₁	1139	1093	10.75	4.00	0.42	0.59
5	A₁	859	824	29.57	10.69	0.74	0.85
6	A₂	3234	3104	0.00	93.91	0.75	0.86
7	A₂	1197	1149	0.00	6.02	0.75	0.86
8	A₂	1000	960	0.00	0.00	0.75	0.86
9	B₁	3254	3123	36.44	12.88	0.75	0.86
10	B₁	1121	1076	0.64	19.01	0.75	0.86
11	B₁	845	811	0.01	10.89	0.75	0.86
12	B₂	3144	3018	19.83	7.50	0.75	0.86
13	B₂	1546	1484	0.07	5.99	0.75	0.86
14	B₂	1133	1087	17.02	2.86	0.75	0.86
15	B₂	821	788	5.95	7.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.899
C2	0.000	0.742	-0.391
C3	0.000	-0.742	-0.391
H4	0.922	1.267	-0.623
H5	-0.922	1.267	-0.623
H6	-0.922	-1.267	-0.623
H7	0.922	-1.267	-0.623

	O1	C2	C3	H4	H5	H6	H7
O1		1.4884	1.4884	2.1846	2.1846	2.1846	2.1846
C2	1.4884		1.4843	1.0860	1.0860	2.2230	2.2230
C3	1.4884	1.4843		2.2230	2.2230	1.0860	1.0860
H4	2.1846	1.0860	2.2230		1.8437	3.1344	2.5348
H5	2.1846	1.0860	2.2230	1.8437		2.5348	3.1344
H6	2.1846	2.2230	1.0860	3.1344	2.5348		1.8437
H7	2.1846	2.2230	1.0860	2.5348	3.1344	1.8437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.091	O1	C2	H4	115.223
O1	C2	H5	115.223	O1	C3	C2	60.091
O1	C3	H6	115.223	O1	C3	H7	115.223
C2	O1	C3	59.818	C2	C3	H6	118.922
C2	C3	H7	118.922	C3	C2	H4	118.922
C3	C2	H5	118.922	H4	C2	H5	116.176
H6	C3	H7	116.176

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

using model chemistry: PBE1PBE/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	-0.435
2	C	-0.253
3	C	-0.253
4	H	0.235
5	H	0.235
6	H	0.235
7	H	0.235

	x	y	z	Total
	0.000	0.000	-2.332	2.332
CHELPG
AIM
ESP

<r²>	37.563
(<r²>)^1/2	6.129

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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