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	hartrees
Energy at 0K	-152.836531
Energy at 298.15K
HF Energy	-152.836531
Nuclear repulsion energy	72.688552

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	3065	3013	6.87	181.70	0.09	0.17
2	A₁	1539	1513	0.21	7.64	0.70	0.83
3	A₁	1193	1173	6.36	17.41	0.12	0.22
4	A₁	1094	1075	7.38	5.39	0.44	0.61
5	A₁	813	799	25.57	10.36	0.74	0.85
6	A₂	3138	3084	0.00	106.38	0.75	0.86
7	A₂	1170	1150	0.00	6.60	0.75	0.86
8	A₂	966	950	0.00	0.00	0.75	0.86
9	B₁	3159	3105	64.30	16.06	0.75	0.86
10	B₁	1083	1064	0.15	19.87	0.75	0.86
11	B₁	822	808	0.18	13.33	0.75	0.86
12	B₂	3055	3003	34.61	9.37	0.75	0.86
13	B₂	1522	1496	0.22	6.95	0.75	0.86
14	B₂	1088	1069	16.04	3.84	0.75	0.86
15	B₂	745	732	8.59	5.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.914
C2	0.000	0.747	-0.398
C3	0.000	-0.747	-0.398
H4	0.926	1.275	-0.633
H5	-0.926	1.275	-0.633
H6	-0.926	-1.275	-0.633
H7	0.926	-1.275	-0.633

	O1	C2	C3	H4	H5	H6	H7
O1		1.5103	1.5103	2.2087	2.2087	2.2087	2.2087
C2	1.5103		1.4942	1.0914	1.0914	2.2366	2.2366
C3	1.5103	1.4942		2.2366	2.2366	1.0914	1.0914
H4	2.2087	1.0914	2.2366		1.8515	3.1518	2.5507
H5	2.2087	1.0914	2.2366	1.8515		2.5507	3.1518
H6	2.2087	2.2366	1.0914	3.1518	2.5507		1.8515
H7	2.2087	2.2366	1.0914	2.5507	3.1518	1.8515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.353	O1	C2	H4	115.246
O1	C2	H5	115.246	O1	C3	C2	60.353
O1	C3	H6	115.246	O1	C3	H7	115.246
C2	O1	C3	59.295	C2	C3	H6	118.946
C2	C3	H7	118.946	C3	C2	H4	118.946
C3	C2	H5	118.946	H4	C2	H5	116.030
H6	C3	H7	116.030

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

using model chemistry: B97D3/3-21G

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	-0.410
2	C	-0.223
3	C	-0.223
4	H	0.214
5	H	0.214
6	H	0.214
7	H	0.214

	x	y	z	Total
	0.000	0.000	-2.224	2.224
CHELPG
AIM
ESP

<r²>	38.088
(<r²>)^1/2	6.172

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

using model chemistry: B97D3/3-21G

States and conformations

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