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	hartrees
Energy at 0K	-153.792420
Energy at 298.15K
HF Energy	-153.792420
Nuclear repulsion energy	74.965945

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	3079	2986	11.25	233.57	0.09	0.17
2	A₁	1522	1477	3.97	2.68	0.68	0.81
3	A₁	1301	1262	12.53	26.02	0.19	0.33
4	A₁	1139	1104	0.27	1.46	0.52	0.69
5	A₁	893	866	58.89	11.28	0.73	0.84
6	A₂	3157	3062	0.00	130.71	0.75	0.86
7	A₂	1159	1124	0.00	4.13	0.75	0.86
8	A₂	1025	995	0.00	0.10	0.75	0.86
9	B₁	3173	3077	60.02	18.88	0.75	0.86
10	B₁	1154	1119	3.36	13.16	0.75	0.86
11	B₁	809	785	0.00	7.74	0.75	0.86
12	B₂	3069	2977	39.56	10.47	0.75	0.86
13	B₂	1476	1432	0.26	6.88	0.75	0.86
14	B₂	1129	1095	0.90	2.45	0.75	0.86
15	B₂	850	825	11.04	4.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.856
C2	0.000	0.736	-0.371
C3	0.000	-0.736	-0.371
H4	0.927	1.276	-0.598
H5	-0.927	1.276	-0.598
H6	-0.927	-1.276	-0.598
H7	0.927	-1.276	-0.598

	O1	C2	C3	H4	H5	H6	H7
O1		1.4301	1.4301	2.1451	2.1451	2.1451	2.1451
C2	1.4301		1.4710	1.0972	1.0972	2.2267	2.2267
C3	1.4301	1.4710		2.2267	2.2267	1.0972	1.0972
H4	2.1451	1.0972	2.2267		1.8547	3.1550	2.5522
H5	2.1451	1.0972	2.2267	1.8547		2.5522	3.1550
H6	2.1451	2.2267	1.0972	3.1550	2.5522		1.8547
H7	2.1451	2.2267	1.0972	2.5522	3.1550	1.8547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.050	O1	C2	H4	115.528
O1	C2	H5	115.528	O1	C3	C2	59.050
O1	C3	H6	115.528	O1	C3	H7	115.528
C2	O1	C3	61.900	C2	C3	H6	119.518
C2	C3	H7	119.518	C3	C2	H4	119.518
C3	C2	H5	119.518	H4	C2	H5	115.389
H6	C3	H7	115.389

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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	-0.284
2	C	0.085
3	C	0.085
4	H	0.028
5	H	0.028
6	H	0.028
7	H	0.028

	x	y	z	Total
	0.000	0.000	-1.808	1.808
CHELPG
AIM
ESP

<r²>	36.659
(<r²>)^1/2	6.055

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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