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	hartrees
Energy at 0K	-153.609962
Energy at 298.15K
HF Energy	-152.928682
Nuclear repulsion energy	75.382994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3131	3017
2	A₁	1555	1498
3	A₁	1306	1258
4	A₁	1156	1114
5	A₁	902	870
6	A₂	3193	3077
7	A₂	1176	1133
8	A₂	1049	1011
9	B₁	3208	3092
10	B₁	1180	1137
11	B₁	815	786
12	B₂	3119	3006
13	B₂	1514	1459
14	B₂	1163	1121
15	B₂	846	815

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.731	-0.373
C3	0.000	-0.731	-0.373
H4	0.919	1.261	-0.589
H5	-0.919	1.261	-0.589
H6	-0.919	-1.261	-0.589
H7	0.919	-1.261	-0.589

	O1	C2	C3	H4	H5	H6	H7
O1		1.4289	1.4289	2.1247	2.1247	2.1247	2.1247
C2	1.4289		1.4630	1.0817	1.0817	2.2043	2.2043
C3	1.4289	1.4630		2.2043	2.2043	1.0817	1.0817
H4	2.1247	1.0817	2.2043		1.8371	3.1196	2.5213
H5	2.1247	1.0817	2.2043	1.8371		2.5213	3.1196
H6	2.1247	2.2043	1.0817	3.1196	2.5213		1.8371
H7	2.1247	2.2043	1.0817	2.5213	3.1196	1.8371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.208	O1	C2	H4	114.921
O1	C2	H5	114.921	O1	C3	C2	59.208
O1	C3	H6	114.921	O1	C3	H7	114.921
C2	O1	C3	61.585	C2	C3	H6	119.289
C2	C3	H7	119.289	C3	C2	H4	119.289
C3	C2	H5	119.289	H4	C2	H5	116.241
H6	C3	H7	116.241

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

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