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	hartrees
Energy at 0K	-153.784883
Energy at 298.15K
HF Energy	-153.784883
Nuclear repulsion energy	75.735640

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	3136	2997	12.85	229.92	0.06	0.12
2	A₁	1553	1484	3.43	3.37	0.14	0.24
3	A₁	1332	1273	18.92	32.41	0.11	0.20
4	A₁	1168	1116	0.03	1.90	0.33	0.50
5	A₁	933	891	70.93	8.01	0.66	0.79
6	A₂	3216	3073	0.00	96.62	0.75	0.86
7	A₂	1174	1122	0.00	1.07	0.75	0.86
8	A₂	1062	1015	0.00	0.03	0.75	0.86
9	B₁	3229	3086	27.19	16.78	0.75	0.86
10	B₁	1188	1135	5.63	3.51	0.75	0.86
11	B₁	818	782	0.37	2.09	0.75	0.86
12	B₂	3129	2990	25.44	8.15	0.75	0.86
13	B₂	1508	1441	0.19	3.08	0.75	0.86
14	B₂	1171	1119	0.08	0.22	0.75	0.86
15	B₂	926	885	8.90	4.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.844
C2	0.000	0.732	-0.368
C3	0.000	-0.732	-0.368
H4	0.919	1.262	-0.584
H5	-0.919	1.262	-0.584
H6	-0.919	-1.262	-0.584
H7	0.919	-1.262	-0.584

	O1	C2	C3	H4	H5	H6	H7
O1		1.4151	1.4151	2.1158	2.1158	2.1158	2.1158
C2	1.4151		1.4638	1.0829	1.0829	2.2064	2.2064
C3	1.4151	1.4638		2.2064	2.2064	1.0829	1.0829
H4	2.1158	1.0829	2.2064		1.8378	3.1228	2.5247
H5	2.1158	1.0829	2.2064	1.8378		2.5247	3.1228
H6	2.1158	2.2064	1.0829	3.1228	2.5247		1.8378
H7	2.1158	2.2064	1.0829	2.5247	3.1228	1.8378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.854	O1	C2	H4	115.129
O1	C2	H5	115.129	O1	C3	C2	58.854
O1	C3	H6	115.129	O1	C3	H7	115.129
C2	O1	C3	62.291	C2	C3	H6	119.329
C2	C3	H7	119.329	C3	C2	H4	119.329
C3	C2	H5	119.329	H4	C2	H5	116.105
H6	C3	H7	116.105

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

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.498
2	C	-0.336
3	C	-0.336
4	H	0.293
5	H	0.293
6	H	0.293
7	H	0.293

	x	y	z	Total
	0.000	0.000	-1.904	1.904
CHELPG
AIM
ESP

<r²>	36.285
(<r²>)^1/2	6.024

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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