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	hartrees
Energy at 0K	-152.938311
Energy at 298.15K
HF Energy	-152.938311
Nuclear repulsion energy	72.914277

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	3127	3019	4.75	180.46	0.10	0.18
2	A₁	1567	1513	0.13	6.78	0.73	0.84
3	A₁	1218	1176	6.92	18.83	0.13	0.23
4	A₁	1125	1086	8.56	5.66	0.38	0.55
5	A₁	836	807	25.98	10.66	0.74	0.85
6	A₂	3201	3092	0.00	103.59	0.75	0.86
7	A₂	1195	1154	0.00	6.32	0.75	0.86
8	A₂	986	952	0.00	0.01	0.75	0.86
9	B₁	3222	3112	50.78	13.99	0.75	0.86
10	B₁	1101	1063	0.41	19.85	0.75	0.86
11	B₁	834	805	0.06	11.65	0.75	0.86
12	B₂	3116	3009	29.26	8.31	0.75	0.86
13	B₂	1548	1494	0.25	6.18	0.75	0.86
14	B₂	1115	1077	15.44	3.39	0.75	0.86
15	B₂	783	756	6.25	7.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.911
C2	0.000	0.746	-0.398
C3	0.000	-0.746	-0.398
H4	0.923	1.272	-0.626
H5	-0.923	1.272	-0.626
H6	-0.923	-1.272	-0.626
H7	0.923	-1.272	-0.626

	O1	C2	C3	H4	H5	H6	H7
O1		1.5063	1.5063	2.1982	2.1982	2.1982	2.1982
C2	1.5063		1.4911	1.0865	1.0865	2.2302	2.2302
C3	1.5063	1.4911		2.2302	2.2302	1.0865	1.0865
H4	2.1982	1.0865	2.2302		1.8453	3.1428	2.5440
H5	2.1982	1.0865	2.2302	1.8453		2.5440	3.1428
H6	2.1982	2.2302	1.0865	3.1428	2.5440		1.8453
H7	2.1982	2.2302	1.0865	2.5440	3.1428	1.8453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.334	O1	C2	H4	114.982
O1	C2	H5	114.982	O1	C3	C2	60.334
O1	C3	H6	114.982	O1	C3	H7	114.982
C2	O1	C3	59.332	C2	C3	H6	118.982
C2	C3	H7	118.982	C3	C2	H4	118.982
C3	C2	H5	118.982	H4	C2	H5	116.245
H6	C3	H7	116.245

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

using model chemistry: TPSSh/3-21G*

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	-0.421
2	C	-0.238
3	C	-0.238
4	H	0.224
5	H	0.224
6	H	0.224
7	H	0.224

	x	y	z	Total
	0.000	0.000	-2.290	2.290
CHELPG
AIM
ESP

<r²>	37.932
(<r²>)^1/2	6.159

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

using model chemistry: TPSSh/3-21G*

States and conformations

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