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	hartrees
Energy at 0K	-153.628802
Energy at 298.15K
HF Energy	-153.628802
Nuclear repulsion energy	75.513697

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	3123	2980	12.05	198.03	0.09	0.17
2	A₁	1566	1495	4.51	3.07	0.71	0.83
3	A₁	1336	1275	13.61	24.29	0.18	0.30
4	A₁	1171	1117	0.14	1.46	0.51	0.67
5	A₁	935	893	60.02	11.80	0.74	0.85
6	A₂	3200	3054	0.00	108.05	0.75	0.86
7	A₂	1182	1128	0.00	4.71	0.75	0.86
8	A₂	1051	1003	0.00	0.22	0.75	0.86
9	B₁	3215	3068	54.42	15.42	0.75	0.86
10	B₁	1181	1127	2.70	14.92	0.75	0.86
11	B₁	822	785	0.06	8.75	0.75	0.86
12	B₂	3113	2971	37.30	9.74	0.75	0.86
13	B₂	1517	1448	0.35	6.93	0.75	0.86
14	B₂	1150	1097	2.11	3.49	0.75	0.86
15	B₂	908	867	13.36	4.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.848
C2	0.000	0.731	-0.368
C3	0.000	-0.731	-0.368
H4	0.921	1.269	-0.593
H5	-0.921	1.269	-0.593
H6	-0.921	-1.269	-0.593
H7	0.921	-1.269	-0.593

	O1	C2	C3	H4	H5	H6	H7
O1		1.4185	1.4185	2.1293	2.1293	2.1293	2.1293
C2	1.4185		1.4626	1.0896	1.0896	2.2134	2.2134
C3	1.4185	1.4626		2.2134	2.2134	1.0896	1.0896
H4	2.1293	1.0896	2.2134		1.8412	3.1353	2.5378
H5	2.1293	1.0896	2.2134	1.8412		2.5378	3.1353
H6	2.1293	2.2134	1.0896	3.1353	2.5378		1.8412
H7	2.1293	2.2134	1.0896	2.5378	3.1353	1.8412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.967	O1	C2	H4	115.570
O1	C2	H5	115.570	O1	C3	C2	58.967
O1	C3	H6	115.570	O1	C3	H7	115.570
C2	O1	C3	62.066	C2	C3	H6	119.563
C2	C3	H7	119.563	C3	C2	H4	119.563
C3	C2	H5	119.563	H4	C2	H5	115.313
H6	C3	H7	115.313

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

using model chemistry: HSEh1PBE/6-31G**

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	-0.437
2	C	-0.055
3	C	-0.055
4	H	0.137
5	H	0.137
6	H	0.137
7	H	0.137

	x	y	z	Total
	0.000	0.000	-1.936	1.936
CHELPG
AIM
ESP

<r²>	36.193
(<r²>)^1/2	6.016

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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