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	hartrees
Energy at 0K	-29.581922
Energy at 298.15K
HF Energy	-29.581922
Nuclear repulsion energy	41.184161

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	3093	3014	9.95	227.88	0.09	0.17
2	A₁	1521	1483	0.72	3.76	0.74	0.85
3	A₁	1254	1222	7.46	31.68	0.12	0.21
4	A₁	1118	1089	2.65	7.42	0.32	0.48
5	A₁	812	791	61.51	14.08	0.70	0.83
6	A₂	3189	3108	0.00	116.88	0.75	0.86
7	A₂	1174	1144	0.00	4.15	0.75	0.86
8	A₂	1001	975	0.00	0.00	0.75	0.86
9	B₁	3207	3126	64.79	16.32	0.75	0.86
10	B₁	1104	1076	2.43	14.27	0.75	0.86
11	B₁	815	794	0.40	8.12	0.75	0.86
12	B₂	3081	3002	38.79	11.06	0.75	0.86
13	B₂	1501	1463	0.20	5.82	0.75	0.86
14	B₂	1122	1093	11.62	4.17	0.75	0.86
15	B₂	743	724	7.76	8.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.906
C2	0.000	0.749	-0.400
C3	0.000	-0.749	-0.400
H4	0.923	1.286	-0.611
H5	-0.923	1.286	-0.611
H6	-0.923	-1.286	-0.611
H7	0.923	-1.286	-0.611

	O1	C2	C3	H4	H5	H6	H7
O1		1.5054	1.5054	2.1921	2.1921	2.1921	2.1921
C2	1.5054		1.4989	1.0885	1.0885	2.2449	2.2449
C3	1.5054	1.4989		2.2449	2.2449	1.0885	1.0885
H4	2.1921	1.0885	2.2449		1.8467	3.1661	2.5718
H5	2.1921	1.0885	2.2449	1.8467		2.5718	3.1661
H6	2.1921	2.2449	1.0885	3.1661	2.5718		1.8467
H7	2.1921	2.2449	1.0885	2.5718	3.1661	1.8467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.145	O1	C2	H4	114.406
O1	C2	H5	114.406	O1	C3	C2	60.145
O1	C3	H6	114.406	O1	C3	H7	114.406
C2	O1	C3	59.711	C2	C3	H6	119.529
C2	C3	H7	119.529	C3	C2	H4	119.529
C3	C2	H5	119.529	H4	C2	H5	116.057
H6	C3	H7	116.057

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

using model chemistry: B3LYP/CEP-121G

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	-0.294
2	C	-0.151
3	C	-0.151
4	H	0.149
5	H	0.149
6	H	0.149
7	H	0.149

	x	y	z	Total
	0.000	0.000	-2.576	2.576
CHELPG
AIM
ESP

<r²>	33.684
(<r²>)^1/2	5.804

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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