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	hartrees
Energy at 0K	-153.707106
Energy at 298.15K
HF Energy	-153.707106
Nuclear repulsion energy	74.970185

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	3028	3028	16.78	201.06	0.09	0.17
2	A₁	1511	1511	3.38	4.05	0.75	0.86
3	A₁	1281	1281	11.23	22.03	0.15	0.26
4	A₁	1124	1124	0.18	2.90	0.37	0.54
5	A₁	894	894	50.65	10.00	0.74	0.85
6	A₂	3098	3098	0.00	113.73	0.75	0.86
7	A₂	1151	1151	0.00	3.98	0.75	0.86
8	A₂	1022	1022	0.00	0.18	0.75	0.86
9	B₁	3116	3116	70.48	16.94	0.75	0.86
10	B₁	1146	1146	2.54	12.85	0.75	0.86
11	B₁	799	799	0.12	8.09	0.75	0.86
12	B₂	3020	3020	51.71	11.11	0.75	0.86
13	B₂	1478	1478	0.82	6.63	0.75	0.86
14	B₂	1121	1121	0.56	2.88	0.75	0.86
15	B₂	837	837	13.63	2.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.857
C2	0.000	0.735	-0.372
C3	0.000	-0.735	-0.372
H4	0.924	1.276	-0.598
H5	-0.924	1.276	-0.598
H6	-0.924	-1.276	-0.598
H7	0.924	-1.276	-0.598

	O1	C2	C3	H4	H5	H6	H7
O1		1.4322	1.4322	2.1443	2.1443	2.1443	2.1443
C2	1.4322		1.4702	1.0939	1.0939	2.2243	2.2243
C3	1.4322	1.4702		2.2243	2.2243	1.0939	1.0939
H4	2.1443	1.0939	2.2243		1.8476	3.1499	2.5512
H5	2.1443	1.0939	2.2243	1.8476		2.5512	3.1499
H6	2.1443	2.2243	1.0939	3.1499	2.5512		1.8476
H7	2.1443	2.2243	1.0939	2.5512	3.1499	1.8476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.117	O1	C2	H4	115.526
O1	C2	H5	115.526	O1	C3	C2	59.117
O1	C3	H6	115.526	O1	C3	H7	115.526
C2	O1	C3	61.766	C2	C3	H6	119.609
C2	C3	H7	119.609	C3	C2	H4	119.609
C3	C2	H5	119.609	H4	C2	H5	115.239
H6	C3	H7	115.239

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

using model chemistry: B97D3/6-31G(2df,p)

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	-0.213
2	C	-0.131
3	C	-0.131
4	H	0.119
5	H	0.119
6	H	0.119
7	H	0.119

	x	y	z	Total
	0.000	0.000	-1.695	1.695
CHELPG
AIM
ESP

<r²>	36.530
(<r²>)^1/2	6.044

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

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

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