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	hartrees
Energy at 0K	-153.745960
Energy at 298.15K
HF Energy	-153.745960
Nuclear repulsion energy	74.134189

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	3018	3002	17.59	231.68	0.09	0.17
2	A₁	1496	1488	4.30	3.48	0.67	0.80
3	A₁	1248	1241	12.12	30.38	0.14	0.24
4	A₁	1103	1097	0.09	3.06	0.14	0.25
5	A₁	840	836	72.27	11.96	0.75	0.86
6	A₂	3092	3076	0.00	131.25	0.75	0.86
7	A₂	1142	1136	0.00	2.99	0.75	0.86
8	A₂	1001	996	0.00	0.22	0.75	0.86
9	B₁	3106	3090	57.35	30.90	0.75	0.86
10	B₁	1121	1115	2.29	6.24	0.75	0.86
11	B₁	792	788	0.09	5.49	0.75	0.86
12	B₂	3013	2997	42.44	13.45	0.75	0.86
13	B₂	1469	1461	0.26	7.09	0.75	0.86
14	B₂	1110	1104	1.28	1.55	0.75	0.86
15	B₂	776	772	11.42	4.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.872
C2	0.000	0.741	-0.382
C3	0.000	-0.741	-0.382
H4	0.928	1.284	-0.598
H5	-0.928	1.284	-0.598
H6	-0.928	-1.284	-0.598
H7	0.928	-1.284	-0.598

	O1	C2	C3	H4	H5	H6	H7
O1		1.4566	1.4566	2.1614	2.1614	2.1614	2.1614
C2	1.4566		1.4822	1.0968	1.0968	2.2383	2.2383
C3	1.4566	1.4822		2.2383	2.2383	1.0968	1.0968
H4	2.1614	1.0968	2.2383		1.8560	3.1689	2.5685
H5	2.1614	1.0968	2.2383	1.8560		2.5685	3.1689
H6	2.1614	2.2383	1.0968	3.1689	2.5685		1.8560
H7	2.1614	2.2383	1.0968	2.5685	3.1689	1.8560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.417	O1	C2	H4	114.934
O1	C2	H5	114.934	O1	C3	C2	59.417
O1	C3	H6	114.934	O1	C3	H7	114.934
C2	O1	C3	61.165	C2	C3	H6	119.686
C2	C3	H7	119.686	C3	C2	H4	119.686
C3	C2	H5	119.686	H4	C2	H5	115.584
H6	C3	H7	115.584

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

using model chemistry: BLYP/6-31+G**

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	-0.317
2	C	-0.120
3	C	-0.120
4	H	0.139
5	H	0.139
6	H	0.139
7	H	0.139

	x	y	z	Total
	0.000	0.000	-2.093	2.093
CHELPG
AIM
ESP

<r²>	37.567
(<r²>)^1/2	6.129

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

using model chemistry: BLYP/6-31+G**

States and conformations

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