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	hartrees
Energy at 0K	-28.949322
Energy at 298.15K
HF Energy	-28.949322
Nuclear repulsion energy	42.808634

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	3283	2966	13.95	212.85	0.11	0.20
2	A₁	1681	1518	6.26	2.63	0.20	0.33
3	A₁	1406	1270	15.08	33.60	0.15	0.26
4	A₁	1292	1167	9.80	3.38	0.19	0.33
5	A₁	974	880	102.48	14.12	0.72	0.84
6	A₂	3364	3039	0.00	112.01	0.75	0.86
7	A₂	1273	1150	0.00	2.60	0.75	0.86
8	A₂	1145	1035	0.00	0.08	0.75	0.86
9	B₁	3379	3053	81.52	13.38	0.75	0.86
10	B₁	1276	1152	8.85	10.10	0.75	0.86
11	B₁	870	786	0.05	4.96	0.75	0.86
12	B₂	3271	2955	63.05	8.65	0.75	0.86
13	B₂	1630	1473	1.45	5.33	0.75	0.86
14	B₂	1274	1151	0.10	2.49	0.75	0.86
15	B₂	963	870	13.51	8.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.840
C2	0.000	0.732	-0.368
C3	0.000	-0.732	-0.368
H4	0.913	1.269	-0.576
H5	-0.913	1.269	-0.576
H6	-0.913	-1.269	-0.576
H7	0.913	-1.269	-0.576

	O1	C2	C3	H4	H5	H6	H7
O1		1.4120	1.4120	2.1091	2.1091	2.1091	2.1091
C2	1.4120		1.4637	1.0792	1.0792	2.2089	2.2089
C3	1.4120	1.4637		2.2089	2.2089	1.0792	1.0792
H4	2.1091	1.0792	2.2089		1.8252	3.1260	2.5378
H5	2.1091	1.0792	2.2089	1.8252		2.5378	3.1260
H6	2.1091	2.2089	1.0792	3.1260	2.5378		1.8252
H7	2.1091	2.2089	1.0792	2.5378	3.1260	1.8252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.782	O1	C2	H4	115.032
O1	C2	H5	115.032	O1	C3	C2	58.782
O1	C3	H6	115.032	O1	C3	H7	115.032
C2	O1	C3	62.436	C2	C3	H6	119.844
C2	C3	H7	119.844	C3	C2	H4	119.844
C3	C2	H5	119.844	H4	C2	H5	115.474
H6	C3	H7	115.474

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

using model chemistry: HF/CEP-121G*

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	-0.386
2	C	-0.131
3	C	-0.131
4	H	0.162
5	H	0.162
6	H	0.162
7	H	0.162

	x	y	z	Total
	0.000	0.000	-2.266	2.266
CHELPG
AIM
ESP

<r²>	31.976
(<r²>)^1/2	5.655

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

using model chemistry: HF/CEP-121G*

States and conformations

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