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	hartrees
Energy at 0K	-153.672500
Energy at 298.15K
HF Energy	-153.672500
Nuclear repulsion energy	75.685219

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	3110	2990	16.24	246.93	0.06	0.11
2	A₁	1541	1482	3.15	2.66	0.22	0.36
3	A₁	1325	1274	16.78	30.32	0.11	0.21
4	A₁	1158	1113	0.01	2.27	0.27	0.43
5	A₁	927	891	71.98	7.72	0.70	0.82
6	A₂	3186	3064	0.00	108.82	0.75	0.86
7	A₂	1173	1127	0.00	0.74	0.75	0.86
8	A₂	1054	1013	0.00	0.03	0.75	0.86
9	B₁	3201	3078	36.79	21.55	0.75	0.86
10	B₁	1178	1132	4.16	3.38	0.75	0.86
11	B₁	818	786	0.25	2.76	0.75	0.86
12	B₂	3102	2983	33.98	9.81	0.75	0.86
13	B₂	1498	1440	0.37	3.38	0.75	0.86
14	B₂	1165	1120	0.29	0.24	0.75	0.86
15	B₂	898	863	11.16	3.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.846
C2	0.000	0.729	-0.369
C3	0.000	-0.729	-0.369
H4	0.920	1.263	-0.587
H5	-0.920	1.263	-0.587
H6	-0.920	-1.263	-0.587
H7	0.920	-1.263	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4170	1.4170	2.1209	2.1209	2.1209	2.1209
C2	1.4170		1.4583	1.0860	1.0860	2.2055	2.2055
C3	1.4170	1.4583		2.2055	2.2055	1.0860	1.0860
H4	2.1209	1.0860	2.2055		1.8397	3.1256	2.5268
H5	2.1209	1.0860	2.2055	1.8397		2.5268	3.1256
H6	2.1209	2.2055	1.0860	3.1256	2.5268		1.8397
H7	2.1209	2.2055	1.0860	2.5268	3.1256	1.8397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.030	O1	C2	H4	115.207
O1	C2	H5	115.207	O1	C3	C2	59.030
O1	C3	H6	115.207	O1	C3	H7	115.207
C2	O1	C3	61.939	C2	C3	H6	119.467
C2	C3	H7	119.467	C3	C2	H4	119.467
C3	C2	H5	119.467	H4	C2	H5	115.775
H6	C3	H7	115.775

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

using model chemistry: PBE1PBE/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	-0.527
2	C	-0.366
3	C	-0.366
4	H	0.315
5	H	0.315
6	H	0.315
7	H	0.315

	x	y	z	Total
	0.000	0.000	-1.833	1.833
CHELPG
AIM
ESP

<r²>	36.284
(<r²>)^1/2	6.024

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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