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	hartrees
Energy at 0K	-153.610628
Energy at 298.15K
HF Energy	-152.928615
Nuclear repulsion energy	75.355364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3129	3129
2	A₁	1554	1554
3	A₁	1304	1304
4	A₁	1154	1154
5	A₁	900	900
6	A₂	3191	3191
7	A₂	1175	1175
8	A₂	1048	1048
9	B₁	3207	3207
10	B₁	1179	1179
11	B₁	815	815
12	B₂	3118	3118
13	B₂	1513	1513
14	B₂	1163	1163
15	B₂	843	843

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.855
C2	0.000	0.732	-0.374
C3	0.000	-0.732	-0.374
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		1.4298	1.4298	2.1253	2.1253	2.1253	2.1253
C2	1.4298		1.4631	1.0818	1.0818	2.2044	2.2044
C3	1.4298	1.4631		2.2044	2.2044	1.0818	1.0818
H4	2.1253	1.0818	2.2044		1.8374	3.1200	2.5216
H5	2.1253	1.0818	2.2044	1.8374		2.5216	3.1200
H6	2.1253	2.2044	1.0818	3.1200	2.5216		1.8374
H7	2.1253	2.2044	1.0818	2.5216	3.1200	1.8374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.228	O1	C2	H4	114.899
O1	C2	H5	114.899	O1	C3	C2	59.228
O1	C3	H6	114.899	O1	C3	H7	114.899
C2	O1	C3	61.545	C2	C3	H6	119.291
C2	C3	H7	119.291	C3	C2	H4	119.291
C3	C2	H5	119.291	H4	C2	H5	116.253
H6	C3	H7	116.253

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

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

States and conformations

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