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	hartrees
Energy at 0K	-153.765286
Energy at 298.15K
HF Energy	-153.765286
Nuclear repulsion energy	75.469003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	2981	14.60
2	A₁	1555	1497	3.42
3	A₁	1321	1272	15.47
4	A₁	1154	1111	0.03
5	A₁	915	881	71.70
6	A₂	3172	3054	0.00
7	A₂	1182	1138	0.00
8	A₂	1051	1012	0.00
9	B₁	3188	3069	69.42
10	B₁	1182	1138	3.77
11	B₁	823	793	0.01
12	B₂	3088	2973	50.16
13	B₂	1512	1456	0.02
14	B₂	1137	1094	2.78
15	B₂	876	843	13.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.849
C2	0.000	0.731	-0.370
C3	0.000	-0.731	-0.370
H4	0.921	1.269	-0.588
H5	-0.921	1.269	-0.588
H6	-0.921	-1.269	-0.588
H7	0.921	-1.269	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4210	1.4210	2.1267	2.1267	2.1267	2.1267
C2	1.4210		1.4629	1.0885	1.0885	2.2134	2.2134
C3	1.4210	1.4629		2.2134	2.2134	1.0885	1.0885
H4	2.1267	1.0885	2.2134		1.8415	3.1365	2.5390
H5	2.1267	1.0885	2.2134	1.8415		2.5390	3.1365
H6	2.1267	2.2134	1.0885	3.1365	2.5390		1.8415
H7	2.1267	2.2134	1.0885	2.5390	3.1365	1.8415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.021	O1	C2	H4	115.229
O1	C2	H5	115.229	O1	C3	C2	59.021
O1	C3	H6	115.229	O1	C3	H7	115.229
C2	O1	C3	61.958	C2	C3	H6	119.623
C2	C3	H7	119.623	C3	C2	H4	119.623
C3	C2	H5	119.623	H4	C2	H5	115.534
H6	C3	H7	115.534

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

using model chemistry: B3PW91/6-311G*

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	-0.286
2	C	-0.296
3	C	-0.296
4	H	0.219
5	H	0.219
6	H	0.219
7	H	0.219

	x	y	z	Total
	0.000	0.000	-1.948	1.948
CHELPG
AIM
ESP

<r²>	36.299
(<r²>)^1/2	6.025

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

using model chemistry: B3PW91/6-311G*

States and conformations

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