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	hartrees
Energy at 0K	-153.640863
Energy at 298.15K
HF Energy	-153.640863
Nuclear repulsion energy	73.064302

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	3081	3081	8.12	214.44	0.09	0.16
2	A₁	1531	1531	0.77	6.96	0.68	0.81
3	A₁	1244	1244	6.12	20.61	0.13	0.22
4	A₁	1108	1108	4.00	6.27	0.44	0.62
5	A₁	815	815	43.67	11.64	0.70	0.83
6	A₂	3161	3161	0.00	119.42	0.75	0.86
7	A₂	1181	1181	0.00	6.12	0.75	0.86
8	A₂	988	988	0.00	0.00	0.75	0.86
9	B₁	3181	3181	70.57	17.11	0.75	0.86
10	B₁	1097	1097	0.80	19.14	0.75	0.86
11	B₁	818	818	0.00	12.46	0.75	0.86
12	B₂	3072	3072	35.94	11.00	0.75	0.86
13	B₂	1515	1515	0.03	6.77	0.75	0.86
14	B₂	1121	1121	9.81	4.92	0.75	0.86
15	B₂	725	725	8.59	6.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.906
C2	0.000	0.742	-0.398
C3	0.000	-0.742	-0.398
H4	0.922	1.282	-0.617
H5	-0.922	1.282	-0.617
H6	-0.922	-1.282	-0.617
H7	0.922	-1.282	-0.617

	O1	C2	C3	H4	H5	H6	H7
O1		1.5001	1.5001	2.1938	2.1938	2.1938	2.1938
C2	1.5001		1.4842	1.0909	1.0909	2.2353	2.2353
C3	1.5001	1.4842		2.2353	2.2353	1.0909	1.0909
H4	2.1938	1.0909	2.2353		1.8443	3.1590	2.5647
H5	2.1938	1.0909	2.2353	1.8443		2.5647	3.1590
H6	2.1938	2.2353	1.0909	3.1590	2.5647		1.8443
H7	2.1938	2.2353	1.0909	2.5647	3.1590	1.8443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.350	O1	C2	H4	114.790
O1	C2	H5	114.790	O1	C3	C2	60.350
O1	C3	H6	114.790	O1	C3	H7	114.790
C2	O1	C3	59.299	C2	C3	H6	119.684
C2	C3	H7	119.684	C3	C2	H4	119.684
C3	C2	H5	119.684	H4	C2	H5	115.408
H6	C3	H7	115.408

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

using model chemistry: B97D3/6-31G

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	-0.453
2	C	-0.099
3	C	-0.099
4	H	0.163
5	H	0.163
6	H	0.163
7	H	0.163

	x	y	z	Total
	0.000	0.000	-2.425	2.425
CHELPG
AIM
ESP

<r²>	37.879
(<r²>)^1/2	6.155

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

using model chemistry: B97D3/6-31G

States and conformations

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