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	hartrees
Energy at 0K	-153.720500
Energy at 298.15K
HF Energy	-153.720500
Nuclear repulsion energy	75.651405

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	3141	2999	11.99	193.46	0.10	0.18
2	A₁	1580	1509	4.73	3.13	0.70	0.82
3	A₁	1342	1281	13.42	24.30	0.18	0.30
4	A₁	1178	1125	0.26	1.30	0.53	0.69
5	A₁	940	898	59.80	11.81	0.74	0.85
6	A₂	3216	3071	0.00	107.48	0.75	0.86
7	A₂	1188	1135	0.00	4.95	0.75	0.86
8	A₂	1055	1007	0.00	0.23	0.75	0.86
9	B₁	3231	3085	57.69	14.86	0.75	0.86
10	B₁	1187	1133	3.01	15.33	0.75	0.86
11	B₁	825	788	0.05	8.85	0.75	0.86
12	B₂	3132	2990	38.51	9.63	0.75	0.86
13	B₂	1531	1462	0.67	6.89	0.75	0.86
14	B₂	1152	1100	1.76	3.70	0.75	0.86
15	B₂	918	877	13.40	4.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.845
C2	0.000	0.731	-0.367
C3	0.000	-0.731	-0.367
H4	0.919	1.268	-0.589
H5	-0.919	1.268	-0.589
H6	-0.919	-1.268	-0.589
H7	0.919	-1.268	-0.589

	O1	C2	C3	H4	H5	H6	H7
O1		1.4155	1.4155	2.1239	2.1239	2.1239	2.1239
C2	1.4155		1.4612	1.0876	1.0876	2.2109	2.2109
C3	1.4155	1.4612		2.2109	2.2109	1.0876	1.0876
H4	2.1239	1.0876	2.2109		1.8383	3.1321	2.5359
H5	2.1239	1.0876	2.2109	1.8383		2.5359	3.1321
H6	2.1239	2.2109	1.0876	3.1321	2.5359		1.8383
H7	2.1239	2.2109	1.0876	2.5359	3.1321	1.8383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.927	O1	C2	H4	115.470
O1	C2	H5	115.470	O1	C3	C2	58.927
O1	C3	H6	115.470	O1	C3	H7	115.470
C2	O1	C3	62.145	C2	C3	H6	119.607
C2	C3	H7	119.607	C3	C2	H4	119.607
C3	C2	H5	119.607	H4	C2	H5	115.360
H6	C3	H7	115.360

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

using model chemistry: B1B95/6-31G**

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	-0.427
2	C	-0.127
3	C	-0.127
4	H	0.170
5	H	0.170
6	H	0.170
7	H	0.170

	x	y	z	Total
	0.000	0.000	-1.941	1.941
CHELPG
AIM
ESP

<r²>	36.079
(<r²>)^1/2	6.007

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

using model chemistry: B1B95/6-31G**

States and conformations

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