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	hartrees
Energy at 0K	-153.758451
Energy at 298.15K
HF Energy	-153.758451
Nuclear repulsion energy	75.258189

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	3122	2989	17.14	238.59	0.06	0.12
2	A₁	1542	1476	2.92	3.31	0.14	0.24
3	A₁	1322	1266	16.43	30.85	0.12	0.21
4	A₁	1160	1111	0.01	2.76	0.25	0.40
5	A₁	914	875	75.59	8.52	0.71	0.83
6	A₂	3208	3071	0.00	106.51	0.75	0.86
7	A₂	1165	1115	0.00	0.76	0.75	0.86
8	A₂	1046	1001	0.00	0.05	0.75	0.86
9	B₁	3222	3085	40.57	20.40	0.75	0.86
10	B₁	1168	1119	4.38	3.16	0.75	0.86
11	B₁	819	784	0.23	2.70	0.75	0.86
12	B₂	3114	2981	37.59	9.48	0.75	0.86
13	B₂	1494	1430	0.47	3.02	0.75	0.86
14	B₂	1160	1110	0.16	0.21	0.75	0.86
15	B₂	888	850	10.10	4.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.851
C2	0.000	0.733	-0.371
C3	0.000	-0.733	-0.371
H4	0.926	1.271	-0.588
H5	-0.926	1.271	-0.588
H6	-0.926	-1.271	-0.588
H7	0.926	-1.271	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4250	1.4250	2.1312	2.1312	2.1312	2.1312
C2	1.4250		1.4667	1.0924	1.0924	2.2185	2.2185
C3	1.4250	1.4667		2.2185	2.2185	1.0924	1.0924
H4	2.1312	1.0924	2.2185		1.8518	3.1450	2.5420
H5	2.1312	1.0924	2.2185	1.8518		2.5420	3.1450
H6	2.1312	2.2185	1.0924	3.1450	2.5420		1.8518
H7	2.1312	2.2185	1.0924	2.5420	3.1450	1.8518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.028	O1	C2	H4	115.042
O1	C2	H5	115.042	O1	C3	C2	59.028
O1	C3	H6	115.042	O1	C3	H7	115.042
C2	O1	C3	61.944	C2	C3	H6	119.485
C2	C3	H7	119.485	C3	C2	H4	119.485
C3	C2	H5	119.485	H4	C2	H5	115.905
H6	C3	H7	115.905

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

using model chemistry: wB97X-D/aug-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	-0.572
2	C	0.993
3	C	0.993
4	H	-0.354
5	H	-0.354
6	H	-0.354
7	H	-0.354

	x	y	z	Total
	0.000	0.000	-1.914	1.914
CHELPG
AIM
ESP

<r²>	36.561
(<r²>)^1/2	6.047

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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