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	hartrees
Energy at 0K	-153.581517
Energy at 298.15K
HF Energy	-152.925584
Nuclear repulsion energy	75.854455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3171	12.49
2	A₁	1578	1578	2.62
3	A₁	1340	1340	15.72
4	A₁	1194	1194	0.20
5	A₁	938	938	69.86
6	A₂	3254	3254	0.00
7	A₂	1196	1196	0.00
8	A₂	1083	1083	0.00
9	B₁	3268	3268	30.33
10	B₁	1211	1211	5.53
11	B₁	833	833	0.32
12	B₂	3161	3161	26.75
13	B₂	1534	1534	0.22
14	B₂	1194	1194	0.19
15	B₂	914	914	7.55

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.843
C2	0.000	0.730	-0.367
C3	0.000	-0.730	-0.367
H4	0.916	1.261	-0.584
H5	-0.916	1.261	-0.584
H6	-0.916	-1.261	-0.584
H7	0.916	-1.261	-0.584

	O1	C2	C3	H4	H5	H6	H7
O1		1.4134	1.4134	2.1132	2.1132	2.1132	2.1132
C2	1.4134		1.4609	1.0804	1.0804	2.2026	2.2026
C3	1.4134	1.4609		2.2026	2.2026	1.0804	1.0804
H4	2.1132	1.0804	2.2026		1.8317	3.1168	2.5217
H5	2.1132	1.0804	2.2026	1.8317		2.5217	3.1168
H6	2.1132	2.2026	1.0804	3.1168	2.5217		1.8317
H7	2.1132	2.2026	1.0804	2.5217	3.1168	1.8317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.881	O1	C2	H4	115.206
O1	C2	H5	115.206	O1	C3	C2	58.881
O1	C3	H6	115.206	O1	C3	H7	115.206
C2	O1	C3	62.238	C2	C3	H6	119.400
C2	C3	H7	119.400	C3	C2	H4	119.400
C3	C2	H5	119.400	H4	C2	H5	115.922
H6	C3	H7	115.922

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

using model chemistry: MP3=FULL/6-311+G(3df,2p)

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: MP3=FULL/6-311+G(3df,2p)

States and conformations

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