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	hartrees
Energy at 0K	-153.806500
Energy at 298.15K
HF Energy	-153.806500
Nuclear repulsion energy	75.768446

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	3114	3114	16.01	219.12	0.07	0.13
2	A₁	1548	1548	3.03	3.10	0.21	0.34
3	A₁	1329	1329	17.02	29.16	0.12	0.21
4	A₁	1164	1164	0.00	2.45	0.24	0.39
5	A₁	925	925	72.34	8.00	0.70	0.82
6	A₂	3190	3190	0.00	106.51	0.75	0.86
7	A₂	1177	1177	0.00	1.22	0.75	0.86
8	A₂	1059	1059	0.00	0.04	0.75	0.86
9	B₁	3205	3205	38.03	20.15	0.75	0.86
10	B₁	1185	1185	4.21	3.75	0.75	0.86
11	B₁	821	821	0.28	2.62	0.75	0.86
12	B₂	3105	3105	34.31	9.42	0.75	0.86
13	B₂	1506	1506	0.34	3.33	0.75	0.86
14	B₂	1171	1171	0.28	0.25	0.75	0.86
15	B₂	897	897	10.56	3.68	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	0.918	1.264	-0.586
H5	-0.918	1.264	-0.586
H6	-0.918	-1.264	-0.586
H7	0.918	-1.264	-0.586

	O1	C2	C3	H4	H5	H6	H7
O1		1.4151	1.4151	2.1182	2.1182	2.1182	2.1182
C2	1.4151		1.4577	1.0846	1.0846	2.2046	2.2046
C3	1.4151	1.4577		2.2046	2.2046	1.0846	1.0846
H4	2.1182	1.0846	2.2046		1.8362	3.1239	2.5273
H5	2.1182	1.0846	2.2046	1.8362		2.5273	3.1239
H6	2.1182	2.2046	1.0846	3.1239	2.5273		1.8362
H7	2.1182	2.2046	1.0846	2.5273	3.1239	1.8362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.998	O1	C2	H4	115.222
O1	C2	H5	115.222	O1	C3	C2	58.998
O1	C3	H6	115.222	O1	C3	H7	115.222
C2	O1	C3	62.003	C2	C3	H6	119.544
C2	C3	H7	119.544	C3	C2	H4	119.544
C3	C2	H5	119.544	H4	C2	H5	115.661
H6	C3	H7	115.661

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

using model chemistry: mPW1PW91/6-311+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	-0.552
2	C	0.057
3	C	0.057
4	H	0.110
5	H	0.110
6	H	0.110
7	H	0.110

	x	y	z	Total
	0.000	0.000	-1.874	1.874
CHELPG
AIM
ESP

<r²>	36.197
(<r²>)^1/2	6.016

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

using model chemistry: mPW1PW91/6-311+G(3df,2p)

States and conformations

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