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	hartrees
Energy at 0K	-153.681200
Energy at 298.15K
HF Energy	-153.681200
Nuclear repulsion energy	75.750048

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	3107	3107	16.08	222.73	0.07	0.13
2	A₁	1543	1543	3.12	3.18	0.20	0.33
3	A₁	1328	1328	16.97	29.15	0.12	0.22
4	A₁	1161	1161	0.01	2.38	0.26	0.41
5	A₁	927	927	72.24	8.00	0.70	0.82
6	A₂	3183	3183	0.00	108.79	0.75	0.86
7	A₂	1174	1174	0.00	1.21	0.75	0.86
8	A₂	1057	1057	0.00	0.04	0.75	0.86
9	B₁	3199	3199	37.97	20.85	0.75	0.86
10	B₁	1182	1182	4.10	3.79	0.75	0.86
11	B₁	819	819	0.27	2.72	0.75	0.86
12	B₂	3099	3099	34.14	9.66	0.75	0.86
13	B₂	1500	1500	0.38	3.39	0.75	0.86
14	B₂	1168	1168	0.32	0.26	0.75	0.86
15	B₂	898	898	10.69	3.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.845
C2	0.000	0.729	-0.368
C3	0.000	-0.729	-0.368
H4	0.919	1.264	-0.586
H5	-0.919	1.264	-0.586
H6	-0.919	-1.264	-0.586
H7	0.919	-1.264	-0.586

	O1	C2	C3	H4	H5	H6	H7
O1		1.4150	1.4150	2.1193	2.1193	2.1193	2.1193
C2	1.4150		1.4575	1.0858	1.0858	2.2053	2.2053
C3	1.4150	1.4575		2.2053	2.2053	1.0858	1.0858
H4	2.1193	1.0858	2.2053		1.8382	3.1256	2.5279
H5	2.1193	1.0858	2.2053	1.8382		2.5279	3.1256
H6	2.1193	2.2053	1.0858	3.1256	2.5279		1.8382
H7	2.1193	2.2053	1.0858	2.5279	3.1256	1.8382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.001	O1	C2	H4	115.237
O1	C2	H5	115.237	O1	C3	C2	59.001
O1	C3	H6	115.237	O1	C3	H7	115.237
C2	O1	C3	61.998	C2	C3	H6	119.533
C2	C3	H7	119.533	C3	C2	H4	119.533
C3	C2	H5	119.533	H4	C2	H5	115.663
H6	C3	H7	115.663

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.541
2	C	0.036
3	C	0.036
4	H	0.118
5	H	0.118
6	H	0.118
7	H	0.118

	x	y	z	Total
	0.000	0.000	-1.859	1.859
CHELPG
AIM
ESP

<r²>	36.243
(<r²>)^1/2	6.020

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

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