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	hartrees
Energy at 0K	-153.682321
Energy at 298.15K
HF Energy	-153.682321
Nuclear repulsion energy	75.708340

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	3107	2986	14.83	234.73	0.08	0.14
2	A₁	1544	1484	3.18	1.53	0.52	0.69
3	A₁	1325	1274	15.60	27.50	0.15	0.25
4	A₁	1158	1113	0.04	0.93	0.54	0.70
5	A₁	928	891	66.95	9.65	0.71	0.83
6	A₂	3182	3059	0.00	114.25	0.75	0.86
7	A₂	1174	1128	0.00	1.64	0.75	0.86
8	A₂	1053	1012	0.00	0.04	0.75	0.86
9	B₁	3198	3074	45.55	18.48	0.75	0.86
10	B₁	1179	1133	3.47	7.83	0.75	0.86
11	B₁	819	787	0.02	4.87	0.75	0.86
12	B₂	3099	2979	39.37	10.02	0.75	0.86
13	B₂	1501	1442	0.03	5.04	0.75	0.86
14	B₂	1156	1111	1.34	1.27	0.75	0.86
15	B₂	895	860	12.23	3.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.846
C2	0.000	0.729	-0.368
C3	0.000	-0.729	-0.368
H4	0.919	1.263	-0.590
H5	-0.919	1.263	-0.590
H6	-0.919	-1.263	-0.590
H7	0.919	-1.263	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4162	1.4162	2.1220	2.1220	2.1220	2.1220
C2	1.4162		1.4578	1.0860	1.0860	2.2049	2.2049
C3	1.4162	1.4578		2.2049	2.2049	1.0860	1.0860
H4	2.1220	1.0860	2.2049		1.8382	3.1239	2.5259
H5	2.1220	1.0860	2.2049	1.8382		2.5259	3.1239
H6	2.1220	2.2049	1.0860	3.1239	2.5259		1.8382
H7	2.1220	2.2049	1.0860	2.5259	3.1239	1.8382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.022	O1	C2	H4	115.377
O1	C2	H5	115.377	O1	C3	C2	59.022
O1	C3	H6	115.377	O1	C3	H7	115.377
C2	O1	C3	61.956	C2	C3	H6	119.456
C2	C3	H7	119.456	C3	C2	H4	119.456
C3	C2	H5	119.456	H4	C2	H5	115.632
H6	C3	H7	115.632

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.277
2	C	-0.044
3	C	-0.044
4	H	0.091
5	H	0.091
6	H	0.091
7	H	0.091

	x	y	z	Total
	0.000	0.000	-1.829	1.829
CHELPG
AIM
ESP

<r²>	36.180
(<r²>)^1/2	6.015

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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