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	hartrees
Energy at 0K	-153.744210
Energy at 298.15K
HF Energy	-153.744210
Nuclear repulsion energy	75.495946

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	3099	2979	13.03	190.06	0.09	0.17
2	A₁	1542	1483	3.14	3.06	0.69	0.82
3	A₁	1322	1271	13.26	23.38	0.16	0.27
4	A₁	1157	1113	0.06	1.95	0.36	0.53
5	A₁	923	887	55.17	10.05	0.73	0.85
6	A₂	3175	3052	0.00	104.02	0.75	0.86
7	A₂	1170	1125	0.00	3.61	0.75	0.86
8	A₂	1047	1007	0.00	0.20	0.75	0.86
9	B₁	3191	3068	49.44	14.66	0.75	0.86
10	B₁	1174	1129	3.26	11.89	0.75	0.86
11	B₁	815	783	0.01	6.85	0.75	0.86
12	B₂	3090	2970	38.99	9.75	0.75	0.86
13	B₂	1500	1442	0.13	6.04	0.75	0.86
14	B₂	1151	1106	0.70	2.37	0.75	0.86
15	B₂	890	856	11.74	3.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.848
C2	0.000	0.732	-0.368
C3	0.000	-0.732	-0.368
H4	0.921	1.269	-0.592
H5	-0.921	1.269	-0.592
H6	-0.921	-1.269	-0.592
H7	0.921	-1.269	-0.592

	O1	C2	C3	H4	H5	H6	H7
O1		1.4189	1.4189	2.1291	2.1291	2.1291	2.1291
C2	1.4189		1.4636	1.0895	1.0895	2.2142	2.2142
C3	1.4189	1.4636		2.2142	2.2142	1.0895	1.0895
H4	2.1291	1.0895	2.2142		1.8412	3.1361	2.5387
H5	2.1291	1.0895	2.2142	1.8412		2.5387	3.1361
H6	2.1291	2.2142	1.0895	3.1361	2.5387		1.8412
H7	2.1291	2.2142	1.0895	2.5387	3.1361	1.8412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.952	O1	C2	H4	115.542
O1	C2	H5	115.542	O1	C3	C2	58.952
O1	C3	H6	115.542	O1	C3	H7	115.542
C2	O1	C3	62.096	C2	C3	H6	119.564
C2	C3	H7	119.564	C3	C2	H4	119.564
C3	C2	H5	119.564	H4	C2	H5	115.344
H6	C3	H7	115.344

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.227
2	C	-0.166
3	C	-0.166
4	H	0.140
5	H	0.140
6	H	0.140
7	H	0.140

	x	y	z	Total
	0.000	0.000	-1.754	1.754
CHELPG
AIM
ESP

<r²>	36.155
(<r²>)^1/2	6.013

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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