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	hartrees
Energy at 0K	-153.618829
Energy at 298.15K
HF Energy	-153.474136
Nuclear repulsion energy	75.101146

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	3150	2990	11.29	188.59	0.10	0.18
2	A₁	1588	1507	3.33	3.99	0.75	0.86
3	A₁	1322	1255	9.83	22.41	0.16	0.27
4	A₁	1177	1117	0.06	3.14	0.41	0.58
5	A₁	908	862	57.94	11.48	0.75	0.86
6	A₂	3225	3061	0.00	105.23	0.75	0.86
7	A₂	1204	1143	0.00	5.12	0.75	0.86
8	A₂	1057	1003	0.00	0.14	0.75	0.86
9	B₁	3240	3076	56.87	14.58	0.75	0.86
10	B₁	1183	1123	2.70	15.40	0.75	0.86
11	B₁	832	789	0.07	9.18	0.75	0.86
12	B₂	3142	2982	37.05	9.30	0.75	0.86
13	B₂	1550	1471	1.06	6.72	0.75	0.86
14	B₂	1160	1101	2.20	3.85	0.75	0.86
15	B₂	860	816	11.77	4.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.858
C2	0.000	0.733	-0.374
C3	0.000	-0.733	-0.374
H4	0.919	1.272	-0.594
H5	-0.919	1.272	-0.594
H6	-0.919	-1.272	-0.594
H7	0.919	-1.272	-0.594

	O1	C2	C3	H4	H5	H6	H7
O1		1.4330	1.4330	2.1375	2.1375	2.1375	2.1375
C2	1.4330		1.4662	1.0877	1.0877	2.2163	2.2163
C3	1.4330	1.4662		2.2163	2.2163	1.0877	1.0877
H4	2.1375	1.0877	2.2163		1.8379	3.1378	2.5432
H5	2.1375	1.0877	2.2163	1.8379		2.5432	3.1378
H6	2.1375	2.2163	1.0877	3.1378	2.5432		1.8379
H7	2.1375	2.2163	1.0877	2.5432	3.1378	1.8379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.232	O1	C2	H4	115.303
O1	C2	H5	115.303	O1	C3	C2	59.232
O1	C3	H6	115.303	O1	C3	H7	115.303
C2	O1	C3	61.535	C2	C3	H6	119.678
C2	C3	H7	119.678	C3	C2	H4	119.678
C3	C2	H5	119.678	H4	C2	H5	115.314
H6	C3	H7	115.314

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

using model chemistry: B2PLYP/6-31G*

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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Number	Element	Mulliken
1	O	-0.439
2	C	-0.105
3	C	-0.105
4	H	0.162
5	H	0.162
6	H	0.162
7	H	0.162

	x	y	z	Total
	0.000	0.000	-2.028	2.028
CHELPG
AIM
ESP

<r²>	36.529
(<r²>)^1/2	6.044

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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