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	hartrees
Energy at 0K	-153.852564
Energy at 298.15K
HF Energy	-153.852564
Nuclear repulsion energy	75.296659

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	3092	2992	16.80	249.63	0.06	0.12
2	A₁	1538	1488	2.49	2.31	0.42	0.59
3	A₁	1299	1257	15.76	30.24	0.11	0.20
4	A₁	1149	1112	0.00	3.78	0.17	0.29
5	A₁	888	859	71.66	8.24	0.73	0.84
6	A₂	3165	3062	0.00	113.45	0.75	0.86
7	A₂	1177	1139	0.00	0.78	0.75	0.86
8	A₂	1048	1014	0.00	0.03	0.75	0.86
9	B₁	3180	3076	40.63	22.96	0.75	0.86
10	B₁	1169	1131	4.05	3.40	0.75	0.86
11	B₁	819	793	0.22	2.92	0.75	0.86
12	B₂	3086	2986	36.82	10.46	0.75	0.86
13	B₂	1506	1457	0.10	3.48	0.75	0.86
14	B₂	1168	1130	0.26	0.24	0.75	0.86
15	B₂	843	815	10.70	3.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.855
C2	0.000	0.732	-0.373
C3	0.000	-0.732	-0.373
H4	0.918	1.267	-0.590
H5	-0.918	1.267	-0.590
H6	-0.918	-1.267	-0.590
H7	0.918	-1.267	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4296	1.4296	2.1295	2.1295	2.1295	2.1295
C2	1.4296		1.4633	1.0844	1.0844	2.2099	2.2099
C3	1.4296	1.4633		2.2099	2.2099	1.0844	1.0844
H4	2.1295	1.0844	2.2099		1.8358	3.1291	2.5339
H5	2.1295	1.0844	2.2099	1.8358		2.5339	3.1291
H6	2.1295	2.2099	1.0844	3.1291	2.5339		1.8358
H7	2.1295	2.2099	1.0844	2.5339	3.1291	1.8358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.219	O1	C2	H4	115.090
O1	C2	H5	115.090	O1	C3	C2	59.219
O1	C3	H6	115.090	O1	C3	H7	115.090
C2	O1	C3	61.562	C2	C3	H6	119.582
C2	C3	H7	119.582	C3	C2	H4	119.582
C3	C2	H5	119.582	H4	C2	H5	115.656
H6	C3	H7	115.656

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

using model chemistry: B3LYP/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	-0.568
2	C	-0.296
3	C	-0.296
4	H	0.290
5	H	0.290
6	H	0.290
7	H	0.290

	x	y	z	Total
	0.000	0.000	-1.918	1.918
CHELPG
AIM
ESP

<r²>	36.629
(<r²>)^1/2	6.052

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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