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	hartrees
Energy at 0K	-153.693026
Energy at 298.15K
HF Energy	-153.693026
Nuclear repulsion energy	74.813176

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	3041	2981	17.02	208.62	0.09	0.17
2	A₁	1540	1510	4.53	4.49	0.74	0.85
3	A₁	1286	1261	11.01	22.23	0.16	0.28
4	A₁	1132	1110	0.22	2.46	0.50	0.67
5	A₁	895	877	54.96	11.72	0.75	0.86
6	A₂	3108	3047	0.00	120.95	0.75	0.86
7	A₂	1167	1144	0.00	5.39	0.75	0.86
8	A₂	1022	1002	0.00	0.19	0.75	0.86
9	B₁	3125	3064	85.98	18.19	0.75	0.86
10	B₁	1150	1127	1.86	16.54	0.75	0.86
11	B₁	806	790	0.24	10.85	0.75	0.86
12	B₂	3034	2974	55.41	11.58	0.75	0.86
13	B₂	1504	1474	1.69	7.68	0.75	0.86
14	B₂	1112	1090	2.03	4.34	0.75	0.86
15	B₂	839	823	15.83	3.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.860
C2	0.000	0.736	-0.374
C3	0.000	-0.736	-0.374
H4	0.925	1.278	-0.599
H5	-0.925	1.278	-0.599
H6	-0.925	-1.278	-0.599
H7	0.925	-1.278	-0.599

	O1	C2	C3	H4	H5	H6	H7
O1		1.4361	1.4361	2.1486	2.1486	2.1486	2.1486
C2	1.4361		1.4719	1.0956	1.0956	2.2280	2.2280
C3	1.4361	1.4719		2.2280	2.2280	1.0956	1.0956
H4	2.1486	1.0956	2.2280		1.8498	3.1559	2.5569
H5	2.1486	1.0956	2.2280	1.8498		2.5569	3.1559
H6	2.1486	2.2280	1.0956	3.1559	2.5569		1.8498
H7	2.1486	2.2280	1.0956	2.5569	3.1559	1.8498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.172	O1	C2	H4	115.477
O1	C2	H5	115.477	O1	C3	C2	59.172
O1	C3	H6	115.477	O1	C3	H7	115.477
C2	O1	C3	61.656	C2	C3	H6	119.682
C2	C3	H7	119.682	C3	C2	H4	119.682
C3	C2	H5	119.682	H4	C2	H5	115.163
H6	C3	H7	115.163

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

using model chemistry: B97D3/6-31G*

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	-0.409
2	C	-0.106
3	C	-0.106
4	H	0.155
5	H	0.155
6	H	0.155
7	H	0.155

	x	y	z	Total
	0.000	0.000	-1.873	1.873
CHELPG
AIM
ESP

<r²>	36.657
(<r²>)^1/2	6.054

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

using model chemistry: B97D3/6-31G*

States and conformations

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