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	hartrees
Energy at 0K	-153.600538
Energy at 298.15K
HF Energy	-153.600538
Nuclear repulsion energy	74.691191

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	3030	2980	14.64	203.77	0.09	0.17
2	A₁	1523	1498	3.98	4.36	0.75	0.85
3	A₁	1285	1264	10.85	22.41	0.17	0.29
4	A₁	1117	1099	0.00	1.95	0.58	0.73
5	A₁	893	878	52.59	11.68	0.75	0.86
6	A₂	3098	3047	0.00	115.92	0.75	0.86
7	A₂	1150	1131	0.00	5.66	0.75	0.86
8	A₂	1008	992	0.00	0.22	0.75	0.86
9	B₁	3114	3062	68.18	18.02	0.75	0.86
10	B₁	1136	1118	1.45	16.78	0.75	0.86
11	B₁	795	782	0.19	10.99	0.75	0.86
12	B₂	3022	2972	43.26	11.42	0.75	0.86
13	B₂	1483	1458	0.88	7.83	0.75	0.86
14	B₂	1094	1076	2.83	4.49	0.75	0.86
15	B₂	847	833	15.42	2.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.860
C2	0.000	0.737	-0.373
C3	0.000	-0.737	-0.373
H4	0.928	1.281	-0.601
H5	-0.928	1.281	-0.601
H6	-0.928	-1.281	-0.601
H7	0.928	-1.281	-0.601

	O1	C2	C3	H4	H5	H6	H7
O1		1.4370	1.4370	2.1537	2.1537	2.1537	2.1537
C2	1.4370		1.4746	1.0996	1.0996	2.2329	2.2329
C3	1.4370	1.4746		2.2329	2.2329	1.0996	1.0996
H4	2.1537	1.0996	2.2329		1.8566	3.1634	2.5613
H5	2.1537	1.0996	2.2329	1.8566		2.5613	3.1634
H6	2.1537	2.2329	1.0996	3.1634	2.5613		1.8566
H7	2.1537	2.2329	1.0996	2.5613	3.1634	1.8566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.131	O1	C2	H4	115.577
O1	C2	H5	115.577	O1	C3	C2	59.131
O1	C3	H6	115.577	O1	C3	H7	115.577
C2	O1	C3	61.739	C2	C3	H6	119.615
C2	C3	H7	119.615	C3	C2	H4	119.615
C3	C2	H5	119.615	H4	C2	H5	115.176
H6	C3	H7	115.176

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.384
2	C	-0.133
3	C	-0.133
4	H	0.162
5	H	0.162
6	H	0.162
7	H	0.162

	x	y	z	Total
	0.000	0.000	-1.807	1.807
CHELPG
AIM
ESP

<r²>	36.793
(<r²>)^1/2	6.066

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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