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	hartrees
Energy at 0K	-153.786262
Energy at 298.15K
HF Energy	-153.786262
Nuclear repulsion energy	75.097124

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	3109	2978	12.48	193.74	0.10	0.18
2	A₁	1571	1505	3.90	4.05	0.75	0.86
3	A₁	1313	1258	11.75	22.77	0.17	0.28
4	A₁	1164	1115	0.22	2.53	0.46	0.63
5	A₁	902	864	57.59	11.76	0.75	0.86
6	A₂	3179	3045	0.00	110.21	0.75	0.86
7	A₂	1189	1139	0.00	5.23	0.75	0.86
8	A₂	1045	1001	0.00	0.20	0.75	0.86
9	B₁	3195	3060	64.58	15.32	0.75	0.86
10	B₁	1174	1125	2.81	15.72	0.75	0.86
11	B₁	821	786	0.10	9.50	0.75	0.86
12	B₂	3101	2971	41.76	9.78	0.75	0.86
13	B₂	1532	1467	0.99	7.01	0.75	0.86
14	B₂	1147	1099	1.81	3.82	0.75	0.86
15	B₂	861	824	12.94	4.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.855
C2	0.000	0.735	-0.372
C3	0.000	-0.735	-0.372
H4	0.921	1.275	-0.595
H5	-0.921	1.275	-0.595
H6	-0.921	-1.275	-0.595
H7	0.921	-1.275	-0.595

	O1	C2	C3	H4	H5	H6	H7
O1		1.4301	1.4301	2.1388	2.1388	2.1388	2.1388
C2	1.4301		1.4691	1.0904	1.0904	2.2215	2.2215
C3	1.4301	1.4691		2.2215	2.2215	1.0904	1.0904
H4	2.1388	1.0904	2.2215		1.8411	3.1450	2.5498
H5	2.1388	1.0904	2.2215	1.8411		2.5498	3.1450
H6	2.1388	2.2215	1.0904	3.1450	2.5498		1.8411
H7	2.1388	2.2215	1.0904	2.5498	3.1450	1.8411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.094	O1	C2	H4	115.451
O1	C2	H5	115.451	O1	C3	C2	59.094
O1	C3	H6	115.451	O1	C3	H7	115.451
C2	O1	C3	61.812	C2	C3	H6	119.707
C2	C3	H7	119.707	C3	C2	H4	119.707
C3	C2	H5	119.707	H4	C2	H5	115.179
H6	C3	H7	115.179

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

using model chemistry: B3LYPultrafine/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	-0.424
2	C	-0.094
3	C	-0.094
4	H	0.153
5	H	0.153
6	H	0.153
7	H	0.153

	x	y	z	Total
	0.000	0.000	-1.950	1.950
CHELPG
AIM
ESP

<r²>	36.505
(<r²>)^1/2	6.042

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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