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	hartrees
Energy at 0K	-153.568787
Energy at 298.15K
HF Energy	-152.928982
Nuclear repulsion energy	75.478390

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	3163	3163	13.93	228.47	0.06	0.11
2	A₁	1559	1559	1.71	2.71	0.27	0.43
3	A₁	1319	1319	11.96	30.82	0.10	0.18
4	A₁	1152	1152	0.35	4.42	0.12	0.22
5	A₁	909	909	69.20	7.42	0.75	0.86
6	A₂	3242	3242	0.00	92.57	0.75	0.86
7	A₂	1186	1186	0.00	0.80	0.75	0.86
8	A₂	1059	1059	0.00	0.01	0.75	0.86
9	B₁	3257	3257	22.71	18.45	0.75	0.86
10	B₁	1182	1182	3.73	2.85	0.75	0.86
11	B₁	829	829	0.31	2.17	0.75	0.86
12	B₂	3155	3155	23.26	8.88	0.75	0.86
13	B₂	1523	1523	0.25	2.96	0.75	0.86
14	B₂	1166	1166	0.32	0.17	0.75	0.86
15	B₂	851	851	8.21	3.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.855
C2	0.000	0.729	-0.375
C3	0.000	-0.729	-0.375
H4	0.918	1.256	-0.587
H5	-0.918	1.256	-0.587
H6	-0.918	-1.256	-0.587
H7	0.918	-1.256	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4296	1.4296	2.1214	2.1214	2.1214	2.1214
C2	1.4296		1.4573	1.0793	1.0793	2.1964	2.1964
C3	1.4296	1.4573		2.1964	2.1964	1.0793	1.0793
H4	2.1214	1.0793	2.1964		1.8352	3.1102	2.5111
H5	2.1214	1.0793	2.1964	1.8352		2.5111	3.1102
H6	2.1214	2.1964	1.0793	3.1102	2.5111		1.8352
H7	2.1214	2.1964	1.0793	2.5111	3.1102	1.8352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.357	O1	C2	H4	114.741
O1	C2	H5	114.741	O1	C3	C2	59.357
O1	C3	H6	114.741	O1	C3	H7	114.741
C2	O1	C3	61.286	C2	C3	H6	119.223
C2	C3	H7	119.223	C3	C2	H4	119.223
C3	C2	H5	119.223	H4	C2	H5	116.456
H6	C3	H7	116.456

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

using model chemistry: MP2=FULL/daug-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: MP2=FULL/daug-cc-pVTZ

States and conformations

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