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	hartrees
Energy at 0K	-153.750418
Energy at 298.15K
HF Energy	-153.750418
Nuclear repulsion energy	75.645043

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	3113	3113	12.72	188.38	0.09	0.17
2	A₁	1559	1559	3.25	2.85	0.64	0.78
3	A₁	1332	1332	14.64	24.20	0.16	0.27
4	A₁	1178	1178	0.18	1.62	0.36	0.53
5	A₁	930	930	57.35	10.64	0.72	0.84
6	A₂	3191	3191	0.00	103.32	0.75	0.86
7	A₂	1180	1180	0.00	3.45	0.75	0.86
8	A₂	1059	1059	0.00	0.24	0.75	0.86
9	B₁	3207	3207	49.70	14.21	0.75	0.86
10	B₁	1187	1187	4.01	11.65	0.75	0.86
11	B₁	825	825	0.01	6.69	0.75	0.86
12	B₂	3104	3104	40.04	9.36	0.75	0.86
13	B₂	1513	1513	0.08	5.87	0.75	0.86
14	B₂	1168	1168	0.63	2.16	0.75	0.86
15	B₂	912	912	11.01	4.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.844
C2	0.000	0.732	-0.366
C3	0.000	-0.732	-0.366
H4	0.920	1.268	-0.590
H5	-0.920	1.268	-0.590
H6	-0.920	-1.268	-0.590
H7	0.920	-1.268	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4145	1.4145	2.1243	2.1243	2.1243	2.1243
C2	1.4145		1.4632	1.0884	1.0884	2.2123	2.2123
C3	1.4145	1.4632		2.2123	2.2123	1.0884	1.0884
H4	2.1243	1.0884	2.2123		1.8405	3.1330	2.5354
H5	2.1243	1.0884	2.2123	1.8405		2.5354	3.1330
H6	2.1243	2.2123	1.0884	3.1330	2.5354		1.8405
H7	2.1243	2.2123	1.0884	2.5354	3.1330	1.8405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.856	O1	C2	H4	115.533
O1	C2	H5	115.533	O1	C3	C2	58.856
O1	C3	H6	115.533	O1	C3	H7	115.533
C2	O1	C3	62.288	C2	C3	H6	119.512
C2	C3	H7	119.512	C3	C2	H4	119.512
C3	C2	H5	119.512	H4	C2	H5	115.458
H6	C3	H7	115.458

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

using model chemistry: wB97X-D/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	-0.234
2	C	-0.161
3	C	-0.161
4	H	0.139
5	H	0.139
6	H	0.139
7	H	0.139

	x	y	z	Total
	0.000	0.000	-1.799	1.799
CHELPG
AIM
ESP

<r²>	36.054
(<r²>)^1/2	6.005

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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