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	hartrees
Energy at 0K	-153.769965
Energy at 298.15K
HF Energy	-153.769965
Nuclear repulsion energy	74.396311

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	2996	2989	17.17	231.62	0.10	0.18
2	A₁	1506	1502	2.64	3.05	0.70	0.82
3	A₁	1250	1247	11.95	23.54	0.15	0.26
4	A₁	1099	1096	0.12	1.99	0.61	0.75
5	A₁	846	844	61.60	11.21	0.75	0.85
6	A₂	3064	3057	0.00	136.06	0.75	0.86
7	A₂	1151	1148	0.00	3.75	0.75	0.86
8	A₂	1007	1004	0.00	0.06	0.75	0.86
9	B₁	3081	3073	88.07	21.94	0.75	0.86
10	B₁	1132	1129	2.59	13.47	0.75	0.86
11	B₁	799	797	0.04	8.78	0.75	0.86
12	B₂	2990	2982	59.40	12.92	0.75	0.86
13	B₂	1477	1473	0.40	7.25	0.75	0.86
14	B₂	1091	1088	3.92	3.28	0.75	0.86
15	B₂	778	776	13.24	2.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.868
C2	0.000	0.739	-0.379
C3	0.000	-0.739	-0.379
H4	0.926	1.282	-0.600
H5	-0.926	1.282	-0.600
H6	-0.926	-1.282	-0.600
H7	0.926	-1.282	-0.600

	O1	C2	C3	H4	H5	H6	H7
O1		1.4490	1.4490	2.1569	2.1569	2.1569	2.1569
C2	1.4490		1.4783	1.0954	1.0954	2.2336	2.2336
C3	1.4490	1.4783		2.2336	2.2336	1.0954	1.0954
H4	2.1569	1.0954	2.2336		1.8513	3.1619	2.5632
H5	2.1569	1.0954	2.2336	1.8513		2.5632	3.1619
H6	2.1569	2.2336	1.0954	3.1619	2.5632		1.8513
H7	2.1569	2.2336	1.0954	2.5632	3.1619	1.8513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.329	O1	C2	H4	115.218
O1	C2	H5	115.218	O1	C3	C2	59.329
O1	C3	H6	115.218	O1	C3	H7	115.218
C2	O1	C3	61.341	C2	C3	H6	119.684
C2	C3	H7	119.684	C3	C2	H4	119.684
C3	C2	H5	119.684	H4	C2	H5	115.353
H6	C3	H7	115.353

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

using model chemistry: BLYP/6-311G*

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	-0.275
2	C	-0.257
3	C	-0.257
4	H	0.197
5	H	0.197
6	H	0.197
7	H	0.197

	x	y	z	Total
	0.000	0.000	-1.906	1.906
CHELPG
AIM
ESP

<r²>	37.193
(<r²>)^1/2	6.099

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

using model chemistry: BLYP/6-311G*

States and conformations

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