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	hartrees
Energy at 0K	-152.742429
Energy at 298.15K
HF Energy	-152.742429
Nuclear repulsion energy	72.627617

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	3046	3019	5.97	179.12	0.09	0.17
2	A₁	1523	1509	0.10	7.76	0.71	0.83
3	A₁	1197	1186	5.47	18.16	0.13	0.24
4	A₁	1086	1076	9.76	3.96	0.54	0.70
5	A₁	823	815	24.37	10.32	0.75	0.86
6	A₂	3119	3091	0.00	102.99	0.75	0.86
7	A₂	1155	1144	0.00	6.98	0.75	0.86
8	A₂	956	948	0.00	0.00	0.75	0.86
9	B₁	3140	3111	53.00	16.44	0.75	0.86
10	B₁	1074	1064	0.06	20.16	0.75	0.86
11	B₁	812	805	0.19	13.59	0.75	0.86
12	B₂	3036	3008	27.19	9.59	0.75	0.86
13	B₂	1503	1490	0.03	7.25	0.75	0.86
14	B₂	1075	1065	18.12	3.90	0.75	0.86
15	B₂	761	754	8.83	5.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.913
C2	0.000	0.748	-0.397
C3	0.000	-0.748	-0.397
H4	0.929	1.278	-0.637
H5	-0.929	1.278	-0.637
H6	-0.929	-1.278	-0.637
H7	0.929	-1.278	-0.637

	O1	C2	C3	H4	H5	H6	H7
O1		1.5085	1.5085	2.2130	2.2130	2.2130	2.2130
C2	1.5085		1.4969	1.0959	1.0959	2.2418	2.2418
C3	1.5085	1.4969		2.2418	2.2418	1.0959	1.0959
H4	2.2130	1.0959	2.2418		1.8584	3.1594	2.5550
H5	2.2130	1.0959	2.2418	1.8584		2.5550	3.1594
H6	2.2130	2.2418	1.0959	3.1594	2.5550		1.8584
H7	2.2130	2.2418	1.0959	2.5550	3.1594	1.8584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.255	O1	C2	H4	115.452
O1	C2	H5	115.452	O1	C3	C2	60.255
O1	C3	H6	115.452	O1	C3	H7	115.452
C2	O1	C3	59.489	C2	C3	H6	118.868
C2	C3	H7	118.868	C3	C2	H4	118.868
C3	C2	H5	118.868	H4	C2	H5	115.965
H6	C3	H7	115.965

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

using model chemistry: PBEPBEultrafine/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	-0.384
2	C	-0.244
3	C	-0.244
4	H	0.218
5	H	0.218
6	H	0.218
7	H	0.218

	x	y	z	Total
	0.000	0.000	-2.126	2.126
CHELPG
AIM
ESP

<r²>	38.187
(<r²>)^1/2	6.180

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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