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	hartrees
Energy at 0K	-153.731640
Energy at 298.15K
HF Energy	-153.731640
Nuclear repulsion energy	75.744511

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	3130	2981	10.38	188.92	0.10	0.18
2	A₁	1556	1482	3.71	3.19	0.55	0.71
3	A₁	1342	1278	16.21	25.44	0.17	0.29
4	A₁	1174	1118	0.06	1.23	0.38	0.55
5	A₁	945	900	54.07	10.95	0.71	0.83
6	A₂	3211	3058	0.00	102.68	0.75	0.86
7	A₂	1171	1116	0.00	3.90	0.75	0.86
8	A₂	1059	1009	0.00	0.28	0.75	0.86
9	B₁	3225	3072	40.69	13.51	0.75	0.86
10	B₁	1189	1133	4.82	12.08	0.75	0.86
11	B₁	815	776	0.01	6.43	0.75	0.86
12	B₂	3121	2973	30.06	8.84	0.75	0.86
13	B₂	1506	1434	0.13	6.00	0.75	0.86
14	B₂	1161	1106	0.28	2.32	0.75	0.86
15	B₂	943	898	9.55	4.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.841
C2	0.000	0.733	-0.365
C3	0.000	-0.733	-0.365
H4	0.920	1.266	-0.588
H5	-0.920	1.266	-0.588
H6	-0.920	-1.266	-0.588
H7	0.920	-1.266	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4112	1.4112	2.1194	2.1194	2.1194	2.1194
C2	1.4112		1.4659	1.0867	1.0867	2.2119	2.2119
C3	1.4112	1.4659		2.2119	2.2119	1.0867	1.0867
H4	2.1194	1.0867	2.2119		1.8406	3.1302	2.5319
H5	2.1194	1.0867	2.2119	1.8406		2.5319	3.1302
H6	2.1194	2.2119	1.0867	3.1302	2.5319		1.8406
H7	2.1194	2.2119	1.0867	2.5319	3.1302	1.8406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.710	O1	C2	H4	115.483
O1	C2	H5	115.483	O1	C3	C2	58.710
O1	C3	H6	115.483	O1	C3	H7	115.483
C2	O1	C3	62.580	C2	C3	H6	119.374
C2	C3	H7	119.374	C3	C2	H4	119.374
C3	C2	H5	119.374	H4	C2	H5	115.752
H6	C3	H7	115.752

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

using model chemistry: M06-2X/6-31G(2df,p)

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	-0.260
2	C	-0.137
3	C	-0.137
4	H	0.133
5	H	0.133
6	H	0.133
7	H	0.133

	x	y	z	Total
	0.000	0.000	-1.781	1.781
CHELPG
AIM
ESP

<r²>	36.063
(<r²>)^1/2	6.005

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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