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	hartrees
Energy at 0K	-153.719834
Energy at 298.15K
HF Energy	-153.719834
Nuclear repulsion energy	74.569320

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	3035	3035	22.39	273.15	0.06	0.12
2	A₁	1493	1493	3.07	2.57	0.38	0.55
3	A₁	1269	1269	13.04	31.31	0.11	0.20
4	A₁	1100	1100	0.01	3.60	0.15	0.26
5	A₁	872	872	68.52	8.19	0.74	0.85
6	A₂	3118	3118	0.00	129.02	0.75	0.86
7	A₂	1137	1137	0.00	0.80	0.75	0.86
8	A₂	1012	1012	0.00	0.02	0.75	0.86
9	B₁	3134	3134	61.71	29.39	0.75	0.86
10	B₁	1128	1128	2.70	3.50	0.75	0.86
11	B₁	793	793	0.06	3.93	0.75	0.86
12	B₂	3030	3030	51.01	12.68	0.75	0.86
13	B₂	1459	1459	0.00	3.70	0.75	0.86
14	B₂	1111	1111	0.18	0.43	0.75	0.86
15	B₂	809	809	12.39	2.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.864
C2	0.000	0.737	-0.378
C3	0.000	-0.737	-0.378
H4	0.929	1.278	-0.595
H5	-0.929	1.278	-0.595
H6	-0.929	-1.278	-0.595
H7	0.929	-1.278	-0.595

	O1	C2	C3	H4	H5	H6	H7
O1		1.4442	1.4442	2.1507	2.1507	2.1507	2.1507
C2	1.4442		1.4740	1.0968	1.0968	2.2295	2.2295
C3	1.4442	1.4740		2.2295	2.2295	1.0968	1.0968
H4	2.1507	1.0968	2.2295		1.8580	3.1599	2.5560
H5	2.1507	1.0968	2.2295	1.8580		2.5560	3.1599
H6	2.1507	2.2295	1.0968	3.1599	2.5560		1.8580
H7	2.1507	2.2295	1.0968	2.5560	3.1599	1.8580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.314	O1	C2	H4	114.968
O1	C2	H5	114.968	O1	C3	C2	59.314
O1	C3	H6	114.968	O1	C3	H7	114.968
C2	O1	C3	61.372	C2	C3	H6	119.555
C2	C3	H7	119.555	C3	C2	H4	119.555
C3	C2	H5	119.555	H4	C2	H5	115.778
H6	C3	H7	115.778

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

using model chemistry: B97D3/daug-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	-0.596
2	C	1.746
3	C	1.746
4	H	-0.724
5	H	-0.724
6	H	-0.724
7	H	-0.724

	x	y	z	Total
	0.000	0.000	-1.836	1.836
CHELPG
AIM
ESP

<r²>	37.114
(<r²>)^1/2	6.092

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

using model chemistry: B97D3/daug-cc-pVDZ

States and conformations

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