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	hartrees
Energy at 0K	-153.734857
Energy at 298.15K
HF Energy	-153.534414
Nuclear repulsion energy	75.406597

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	3128	2990	14.21	230.46	0.08	0.15
2	A₁	1555	1486	2.15	1.69	0.70	0.82
3	A₁	1309	1251	12.47	27.39	0.13	0.24
4	A₁	1157	1106	0.02	1.93	0.33	0.49
5	A₁	897	857	64.20	9.65	0.74	0.85
6	A₂	3202	3060	0.00	111.37	0.75	0.86
7	A₂	1186	1133	0.00	1.75	0.75	0.86
8	A₂	1056	1009	0.00	0.01	0.75	0.86
9	B₁	3217	3075	43.35	18.06	0.75	0.86
10	B₁	1179	1127	3.39	7.84	0.75	0.86
11	B₁	825	789	0.01	4.83	0.75	0.86
12	B₂	3121	2983	38.02	9.98	0.75	0.86
13	B₂	1522	1454	0.02	4.90	0.75	0.86
14	B₂	1165	1113	1.54	1.31	0.75	0.86
15	B₂	845	808	10.42	4.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.855
C2	0.000	0.730	-0.373
C3	0.000	-0.730	-0.373
H4	0.916	1.262	-0.591
H5	-0.916	1.262	-0.591
H6	-0.916	-1.262	-0.591
H7	0.916	-1.262	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4287	1.4287	2.1268	2.1268	2.1268	2.1268
C2	1.4287		1.4606	1.0814	1.0814	2.2033	2.2033
C3	1.4287	1.4606		2.2033	2.2033	1.0814	1.0814
H4	2.1268	1.0814	2.2033		1.8325	3.1183	2.5231
H5	2.1268	1.0814	2.2033	1.8325		2.5231	3.1183
H6	2.1268	2.2033	1.0814	3.1183	2.5231		1.8325
H7	2.1268	2.2033	1.0814	2.5231	3.1183	1.8325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.258	O1	C2	H4	115.138
O1	C2	H5	115.138	O1	C3	C2	59.258
O1	C3	H6	115.138	O1	C3	H7	115.138
C2	O1	C3	61.483	C2	C3	H6	119.422
C2	C3	H7	119.422	C3	C2	H4	119.422
C3	C2	H5	119.422	H4	C2	H5	115.829
H6	C3	H7	115.829

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

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