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	hartrees
Energy at 0K	-151.725359
Energy at 298.15K
HF Energy	-151.725359
Nuclear repulsion energy	72.258528

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	3199	2960	1.24	80.65	0.09	0.16
2	A₁	1606	1486	0.37	14.96	0.74	0.85
3	A₁	1304	1206	1.76	14.63	0.25	0.41
4	A₁	1182	1093	4.73	2.35	0.30	0.47
5	A₁	923	854	6.85	7.59	0.74	0.85
6	A₂	3327	3078	0.00	57.00	0.75	0.86
7	A₂	1172	1085	0.00	6.45	0.75	0.86
8	A₂	1017	941	0.00	0.21	0.75	0.86
9	B₁	3338	3089	12.78	9.85	0.75	0.86
10	B₁	1124	1040	3.59	11.41	0.75	0.86
11	B₁	839	777	0.02	4.48	0.75	0.86
12	B₂	3191	2952	0.02	6.27	0.75	0.86
13	B₂	1576	1458	0.69	6.23	0.75	0.86
14	B₂	1135	1050	2.23	1.08	0.75	0.86
15	B₂	967	894	0.48	4.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.904
C2	0.000	0.761	-0.387
C3	0.000	-0.761	-0.387
H4	0.935	1.308	-0.646
H5	-0.935	1.308	-0.646
H6	-0.935	-1.308	-0.646
H7	0.935	-1.308	-0.646

	O1	C2	C3	H4	H5	H6	H7
O1		1.4988	1.4988	2.2332	2.2332	2.2332	2.2332
C2	1.4988		1.5211	1.1141	1.1141	2.2848	2.2848
C3	1.4988	1.5211		2.2848	2.2848	1.1141	1.1141
H4	2.2332	1.1141	2.2848		1.8707	3.2159	2.6158
H5	2.2332	1.1141	2.2848	1.8707		2.6158	3.2159
H6	2.2332	2.2848	1.1141	3.2159	2.6158		1.8707
H7	2.2332	2.2848	1.1141	2.6158	3.2159	1.8707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.506	O1	C2	H4	116.684
O1	C2	H5	116.684	O1	C3	C2	59.506
O1	C3	H6	116.684	O1	C3	H7	116.684
C2	O1	C3	60.988	C2	C3	H6	119.426
C2	C3	H7	119.426	C3	C2	H4	119.426
C3	C2	H5	119.426	H4	C2	H5	114.189
H6	C3	H7	114.189

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

using model chemistry: BLYP/STO-3G

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	-0.147
2	C	-0.086
3	C	-0.086
4	H	0.080
5	H	0.080
6	H	0.080
7	H	0.080

	x	y	z	Total
	0.000	0.000	-1.165	1.165
CHELPG
AIM
ESP

<r²>	37.838
(<r²>)^1/2	6.151

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

using model chemistry: BLYP/STO-3G

States and conformations

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