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	hartrees
Energy at 0K	-153.754615
Energy at 298.15K
HF Energy	-153.754615
Nuclear repulsion energy	73.997653

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	3014	3008	19.41	271.12	0.07	0.12
2	A₁	1475	1473	1.98	2.82	0.51	0.68
3	A₁	1244	1242	13.33	30.10	0.11	0.21
4	A₁	1092	1090	0.45	4.59	0.17	0.28
5	A₁	833	831	65.59	9.55	0.75	0.86
6	A₂	3094	3088	0.00	132.47	0.75	0.86
7	A₂	1127	1125	0.00	0.80	0.75	0.86
8	A₂	994	992	0.00	0.03	0.75	0.86
9	B₁	3108	3102	48.98	31.04	0.75	0.86
10	B₁	1108	1106	2.29	3.79	0.75	0.86
11	B₁	784	783	0.07	4.40	0.75	0.86
12	B₂	3010	3004	40.37	13.08	0.75	0.86
13	B₂	1448	1445	0.02	3.72	0.75	0.86
14	B₂	1104	1102	0.22	0.43	0.75	0.86
15	B₂	764	762	10.32	3.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.874
C2	0.000	0.741	-0.384
C3	0.000	-0.741	-0.384
H4	0.932	1.285	-0.598
H5	-0.932	1.285	-0.598
H6	-0.932	-1.285	-0.598
H7	0.932	-1.285	-0.598

	O1	C2	C3	H4	H5	H6	H7
O1		1.4599	1.4599	2.1650	2.1650	2.1650	2.1650
C2	1.4599		1.4822	1.1001	1.1001	2.2405	2.2405
C3	1.4599	1.4822		2.2405	2.2405	1.1001	1.1001
H4	2.1650	1.1001	2.2405		1.8637	3.1747	2.5701
H5	2.1650	1.1001	2.2405	1.8637		2.5701	3.1747
H6	2.1650	2.2405	1.1001	3.1747	2.5701		1.8637
H7	2.1650	2.2405	1.1001	2.5701	3.1747	1.8637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.493	O1	C2	H4	114.771
O1	C2	H5	114.771	O1	C3	C2	59.493
O1	C3	H6	114.771	O1	C3	H7	114.771
C2	O1	C3	61.015	C2	C3	H6	119.632
C2	C3	H7	119.632	C3	C2	H4	119.632
C3	C2	H5	119.632	H4	C2	H5	115.787
H6	C3	H7	115.787

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

using model chemistry: BLYP/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	-0.505
2	C	1.439
3	C	1.439
4	H	-0.593
5	H	-0.593
6	H	-0.593
7	H	-0.593

	x	y	z	Total
	0.000	0.000	-1.895	1.895
CHELPG
AIM
ESP

<r²>	37.680
(<r²>)^1/2	6.138

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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