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	hartrees
Energy at 0K	-153.729876
Energy at 298.15K
HF Energy	-153.729876
Nuclear repulsion energy	73.441764

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	3147	3027	4.88	197.19	0.09	0.17
2	A₁	1560	1501	0.45	6.25	0.73	0.85
3	A₁	1274	1225	6.78	21.53	0.14	0.24
4	A₁	1139	1096	3.93	6.60	0.39	0.56
5	A₁	831	800	46.00	12.02	0.70	0.82
6	A₂	3227	3104	0.00	108.16	0.75	0.86
7	A₂	1204	1159	0.00	5.95	0.75	0.86
8	A₂	1011	972	0.00	0.00	0.75	0.86
9	B₁	3245	3121	49.08	14.08	0.75	0.86
10	B₁	1122	1079	1.57	18.35	0.75	0.86
11	B₁	835	803	0.04	10.81	0.75	0.86
12	B₂	3137	3018	23.92	8.94	0.75	0.86
13	B₂	1541	1482	0.07	6.06	0.75	0.86
14	B₂	1156	1112	9.20	4.10	0.75	0.86
15	B₂	759	730	6.38	8.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.899
C2	0.000	0.740	-0.395
C3	0.000	-0.740	-0.395
H4	0.918	1.278	-0.612
H5	-0.918	1.278	-0.612
H6	-0.918	-1.278	-0.612
H7	0.918	-1.278	-0.612

	O1	C2	C3	H4	H5	H6	H7
O1		1.4906	1.4906	2.1815	2.1815	2.1815	2.1815
C2	1.4906		1.4795	1.0860	1.0860	2.2273	2.2273
C3	1.4906	1.4795		2.2273	2.2273	1.0860	1.0860
H4	2.1815	1.0860	2.2273		1.8359	3.1470	2.5559
H5	2.1815	1.0860	2.2273	1.8359		2.5559	3.1470
H6	2.1815	2.2273	1.0860	3.1470	2.5559		1.8359
H7	2.1815	2.2273	1.0860	2.5559	3.1470	1.8359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.247	O1	C2	H4	114.795
O1	C2	H5	114.795	O1	C3	C2	60.247
O1	C3	H6	114.795	O1	C3	H7	114.795
C2	O1	C3	59.507	C2	C3	H6	119.709
C2	C3	H7	119.709	C3	C2	H4	119.709
C3	C2	H5	119.709	H4	C2	H5	115.402
H6	C3	H7	115.402

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

using model chemistry: B3LYP/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	-0.466
2	C	-0.083
3	C	-0.083
4	H	0.158
5	H	0.158
6	H	0.158
7	H	0.158

	x	y	z	Total
	0.000	0.000	-2.509	2.509
CHELPG
AIM
ESP

<r²>	37.655
(<r²>)^1/2	6.136

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

using model chemistry: B3LYP/6-31G

States and conformations

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