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	hartrees
Energy at 0K	-153.754192
Energy at 298.15K
HF Energy	-153.754192
Nuclear repulsion energy	75.051123

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	3027	2988	20.61	237.40	0.07	0.13
2	A₁	1504	1485	2.93	2.83	0.43	0.60
3	A₁	1275	1258	14.65	29.17	0.12	0.21
4	A₁	1120	1105	0.00	3.51	0.17	0.29
5	A₁	883	872	67.98	8.29	0.73	0.85
6	A₂	3099	3059	0.00	123.26	0.75	0.86
7	A₂	1152	1137	0.00	1.35	0.75	0.86
8	A₂	1026	1013	0.00	0.04	0.75	0.86
9	B₁	3116	3075	57.85	26.24	0.75	0.86
10	B₁	1147	1132	2.99	4.02	0.75	0.86
11	B₁	803	792	0.10	3.43	0.75	0.86
12	B₂	3021	2982	47.32	11.55	0.75	0.86
13	B₂	1475	1456	0.00	3.80	0.75	0.86
14	B₂	1133	1118	0.25	0.32	0.75	0.86
15	B₂	827	817	11.55	2.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.857
C2	0.000	0.733	-0.374
C3	0.000	-0.733	-0.374
H4	0.922	1.272	-0.592
H5	-0.922	1.272	-0.592
H6	-0.922	-1.272	-0.592
H7	0.922	-1.272	-0.592

	O1	C2	C3	H4	H5	H6	H7
O1		1.4335	1.4335	2.1377	2.1377	2.1377	2.1377
C2	1.4335		1.4668	1.0900	1.0900	2.2180	2.2180
C3	1.4335	1.4668		2.2180	2.2180	1.0900	1.0900
H4	2.1377	1.0900	2.2180		1.8446	3.1423	2.5439
H5	2.1377	1.0900	2.2180	1.8446		2.5439	3.1423
H6	2.1377	2.2180	1.0900	3.1423	2.5439		1.8446
H7	2.1377	2.2180	1.0900	2.5439	3.1423	1.8446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.229	O1	C2	H4	115.121
O1	C2	H5	115.121	O1	C3	C2	59.229
O1	C3	H6	115.121	O1	C3	H7	115.121
C2	O1	C3	61.542	C2	C3	H6	119.609
C2	C3	H7	119.609	C3	C2	H4	119.609
C3	C2	H5	119.609	H4	C2	H5	115.586
H6	C3	H7	115.586

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.513
2	C	0.032
3	C	0.032
4	H	0.112
5	H	0.112
6	H	0.112
7	H	0.112

	x	y	z	Total
	0.000	0.000	-1.838	1.838
CHELPG
AIM
ESP

<r²>	36.747
(<r²>)^1/2	6.062

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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