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	hartrees
Energy at 0K	-29.642814
Energy at 298.15K
HF Energy	-29.642814
Nuclear repulsion energy	42.305906

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	17.64	231.79	0.10	0.18
2	A₁	1562	1562	4.73	1.95	0.46	0.63
3	A₁	1319	1319	13.83	33.06	0.16	0.27
4	A₁	1171	1171	1.02	1.16	0.41	0.58
5	A₁	917	917	76.86	14.02	0.74	0.85
6	A₂	3185	3185	0.00	122.98	0.75	0.86
7	A₂	1177	1177	0.00	2.76	0.75	0.86
8	A₂	1054	1054	0.00	0.13	0.75	0.86
9	B₁	3200	3200	80.52	18.83	0.75	0.86
10	B₁	1180	1180	3.98	11.40	0.75	0.86
11	B₁	820	820	0.05	6.61	0.75	0.86
12	B₂	3098	3098	63.72	11.95	0.75	0.86
13	B₂	1515	1515	0.43	6.96	0.75	0.86
14	B₂	1145	1145	2.64	3.30	0.75	0.86
15	B₂	902	902	12.24	4.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.854
C2	0.000	0.739	-0.373
C3	0.000	-0.739	-0.373
H4	0.924	1.277	-0.590
H5	-0.924	1.277	-0.590
H6	-0.924	-1.277	-0.590
H7	0.924	-1.277	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4317	1.4317	2.1368	2.1368	2.1368	2.1368
C2	1.4317		1.4772	1.0906	1.0906	2.2273	2.2273
C3	1.4317	1.4772		2.2273	2.2273	1.0906	1.0906
H4	2.1368	1.0906	2.2273		1.8470	3.1512	2.5531
H5	2.1368	1.0906	2.2273	1.8470		2.5531	3.1512
H6	2.1368	2.2273	1.0906	3.1512	2.5531		1.8470
H7	2.1368	2.2273	1.0906	2.5531	3.1512	1.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.943	O1	C2	H4	115.145
O1	C2	H5	115.145	O1	C3	C2	58.943
O1	C3	H6	115.145	O1	C3	H7	115.145
C2	O1	C3	62.114	C2	C3	H6	119.558
C2	C3	H7	119.558	C3	C2	H4	119.558
C3	C2	H5	119.558	H4	C2	H5	115.731
H6	C3	H7	115.731

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

using model chemistry: wB97X-D/CEP-121G*

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	-0.293
2	C	-0.194
3	C	-0.194
4	H	0.170
5	H	0.170
6	H	0.170
7	H	0.170

	x	y	z	Total
	0.000	0.000	-2.043	2.043
CHELPG
AIM
ESP

<r²>	32.372
(<r²>)^1/2	5.690

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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