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	hartrees
Energy at 0K	-153.548527
Energy at 298.15K
HF Energy	-153.548527
Nuclear repulsion energy	73.003912

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	3069	3027	6.83	208.82	0.09	0.16
2	A₁	1514	1493	0.56	6.85	0.69	0.82
3	A₁	1246	1229	6.16	21.19	0.13	0.24
4	A₁	1099	1084	5.72	4.99	0.52	0.68
5	A₁	827	816	41.55	11.34	0.71	0.83
6	A₂	3148	3105	0.00	114.26	0.75	0.86
7	A₂	1165	1149	0.00	6.38	0.75	0.86
8	A₂	976	963	0.00	0.00	0.75	0.86
9	B₁	3167	3123	56.21	17.03	0.75	0.86
10	B₁	1087	1072	0.53	19.40	0.75	0.86
11	B₁	808	797	0.00	12.68	0.75	0.86
12	B₂	3060	3018	27.21	10.83	0.75	0.86
13	B₂	1496	1475	0.05	6.98	0.75	0.86
14	B₂	1108	1092	11.47	5.08	0.75	0.86
15	B₂	741	731	8.51	5.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.905
C2	0.000	0.743	-0.397
C3	0.000	-0.743	-0.397
H4	0.925	1.285	-0.619
H5	-0.925	1.285	-0.619
H6	-0.925	-1.285	-0.619
H7	0.925	-1.285	-0.619

	O1	C2	C3	H4	H5	H6	H7
O1		1.4988	1.4988	2.1977	2.1977	2.1977	2.1977
C2	1.4988		1.4860	1.0952	1.0952	2.2399	2.2399
C3	1.4988	1.4860		2.2399	2.2399	1.0952	1.0952
H4	2.1977	1.0952	2.2399		1.8510	3.1666	2.5693
H5	2.1977	1.0952	2.2399	1.8510		2.5693	3.1666
H6	2.1977	2.2399	1.0952	3.1666	2.5693		1.8510
H7	2.1977	2.2399	1.0952	2.5693	3.1666	1.8510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.282	O1	C2	H4	114.938
O1	C2	H5	114.938	O1	C3	C2	60.282
O1	C3	H6	114.938	O1	C3	H7	114.938
C2	O1	C3	59.437	C2	C3	H6	119.640
C2	C3	H7	119.640	C3	C2	H4	119.640
C3	C2	H5	119.640	H4	C2	H5	115.357
H6	C3	H7	115.357

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

using model chemistry: PBEPBE/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	-0.428
2	C	-0.126
3	C	-0.126
4	H	0.170
5	H	0.170
6	H	0.170
7	H	0.170

	x	y	z	Total
	0.000	0.000	-2.341	2.341
CHELPG
AIM
ESP

<r²>	37.978
(<r²>)^1/2	6.163

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

using model chemistry: PBEPBE/6-31G

States and conformations

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