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	hartrees
Energy at 0K	-153.702935
Energy at 298.15K
HF Energy	-153.702935
Nuclear repulsion energy	74.697845

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	3019	2993	15.08	247.24	0.09	0.16
2	A₁	1493	1481	4.77	3.08	0.74	0.85
3	A₁	1277	1266	11.15	25.49	0.19	0.32
4	A₁	1111	1102	0.56	1.56	0.56	0.72
5	A₁	885	877	56.03	11.06	0.73	0.85
6	A₂	3094	3068	0.00	140.15	0.75	0.86
7	A₂	1138	1128	0.00	4.37	0.75	0.86
8	A₂	1005	996	0.00	0.09	0.75	0.86
9	B₁	3111	3084	79.49	22.00	0.75	0.86
10	B₁	1131	1121	2.52	13.97	0.75	0.86
11	B₁	796	790	0.06	8.89	0.75	0.86
12	B₂	3010	2984	51.75	12.16	0.75	0.86
13	B₂	1451	1438	0.87	7.56	0.75	0.86
14	B₂	1099	1090	0.81	2.89	0.75	0.86
15	B₂	827	820	13.81	3.01	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	0.931	1.280	-0.602
H5	-0.931	1.280	-0.602
H6	-0.931	-1.280	-0.602
H7	0.931	-1.280	-0.602

	O1	C2	C3	H4	H5	H6	H7
O1		1.4361	1.4361	2.1546	2.1546	2.1546	2.1546
C2	1.4361		1.4733	1.1018	1.1018	2.2325	2.2325
C3	1.4361	1.4733		2.2325	2.2325	1.1018	1.1018
H4	2.1546	1.1018	2.2325		1.8615	3.1645	2.5591
H5	2.1546	1.1018	2.2325	1.8615		2.5591	3.1645
H6	2.1546	2.2325	1.1018	3.1645	2.5591		1.8615
H7	2.1546	2.2325	1.1018	2.5591	3.1645	1.8615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.139	O1	C2	H4	115.578
O1	C2	H5	115.578	O1	C3	C2	59.139
O1	C3	H6	115.578	O1	C3	H7	115.578
C2	O1	C3	61.721	C2	C3	H6	119.524
C2	C3	H7	119.524	C3	C2	H4	119.524
C3	C2	H5	119.524	H4	C2	H5	115.303
H6	C3	H7	115.303

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

using model chemistry: B97D3/cc-pVDZ

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	-0.278
2	C	0.086
3	C	0.086
4	H	0.026
5	H	0.026
6	H	0.026
7	H	0.026

	x	y	z	Total
	0.000	0.000	-1.730	1.730
CHELPG
AIM
ESP

<r²>	36.806
(<r²>)^1/2	6.067

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

using model chemistry: B97D3/cc-pVDZ

States and conformations

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