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	hartrees
Energy at 0K	-153.679865
Energy at 298.15K
HF Energy	-153.508964
Nuclear repulsion energy	75.252000

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	3126	3126	13.06	209.49	0.10	0.18
2	A₁	1569	1569	2.47	2.04	0.73	0.84
3	A₁	1314	1314	12.61	24.79	0.15	0.26
4	A₁	1162	1162	0.02	1.75	0.46	0.63
5	A₁	899	899	68.12	10.95	0.75	0.86
6	A₂	3206	3206	0.00	115.83	0.75	0.86
7	A₂	1197	1197	0.00	3.16	0.75	0.86
8	A₂	1059	1059	0.00	0.09	0.75	0.86
9	B₁	3221	3221	64.78	16.96	0.75	0.86
10	B₁	1186	1186	3.87	11.74	0.75	0.86
11	B₁	831	831	0.00	6.78	0.75	0.86
12	B₂	3118	3118	45.62	10.35	0.75	0.86
13	B₂	1533	1533	0.10	6.16	0.75	0.86
14	B₂	1151	1151	3.28	2.45	0.75	0.86
15	B₂	847	847	10.93	4.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.733	-0.373
C3	0.000	-0.733	-0.373
H4	0.919	1.269	-0.589
H5	-0.919	1.269	-0.589
H6	-0.919	-1.269	-0.589
H7	0.919	-1.269	-0.589

	O1	C2	C3	H4	H5	H6	H7
O1		1.4296	1.4296	2.1304	2.1304	2.1304	2.1304
C2	1.4296		1.4653	1.0857	1.0857	2.2129	2.2129
C3	1.4296	1.4653		2.2129	2.2129	1.0857	1.0857
H4	2.1304	1.0857	2.2129		1.8381	3.1333	2.5375
H5	2.1304	1.0857	2.2129	1.8381		2.5375	3.1333
H6	2.1304	2.2129	1.0857	3.1333	2.5375		1.8381
H7	2.1304	2.2129	1.0857	2.5375	3.1333	1.8381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.171	O1	C2	H4	115.082
O1	C2	H5	115.082	O1	C3	C2	59.171
O1	C3	H6	115.082	O1	C3	H7	115.082
C2	O1	C3	61.658	C2	C3	H6	119.589
C2	C3	H7	119.589	C3	C2	H4	119.589
C3	C2	H5	119.589	H4	C2	H5	115.669
H6	C3	H7	115.669

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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: B2PLYP=FULLultrafine/6-311G*

States and conformations

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