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	hartrees
Energy at 0K	-152.871689
Energy at 298.15K
HF Energy	-152.871689
Nuclear repulsion energy	72.310795

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	3019	6.54	179.69	0.09	0.17
2	A₁	1531	1522	0.23	8.91	0.70	0.82
3	A₁	1178	1171	5.40	16.00	0.12	0.21
4	A₁	1082	1076	5.97	6.08	0.45	0.62
5	A₁	792	787	22.48	10.26	0.75	0.85
6	A₂	3104	3087	0.00	105.43	0.75	0.86
7	A₂	1161	1155	0.00	7.32	0.75	0.86
8	A₂	952	947	0.00	0.00	0.75	0.86
9	B₁	3124	3107	61.46	16.34	0.75	0.86
10	B₁	1068	1062	0.15	20.17	0.75	0.86
11	B₁	811	807	0.27	13.98	0.75	0.86
12	B₂	3026	3010	31.59	9.58	0.75	0.86
13	B₂	1516	1507	0.33	7.27	0.75	0.86
14	B₂	1075	1069	15.65	4.10	0.75	0.86
15	B₂	725	721	7.74	5.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.921
C2	0.000	0.751	-0.401
C3	0.000	-0.751	-0.401
H4	0.927	1.281	-0.639
H5	-0.927	1.281	-0.639
H6	-0.927	-1.281	-0.639
H7	0.927	-1.281	-0.639

	O1	C2	C3	H4	H5	H6	H7
O1		1.5201	1.5201	2.2215	2.2215	2.2215	2.2215
C2	1.5201		1.5013	1.0943	1.0943	2.2458	2.2458
C3	1.5201	1.5013		2.2458	2.2458	1.0943	1.0943
H4	2.2215	1.0943	2.2458		1.8540	3.1624	2.5619
H5	2.2215	1.0943	2.2458	1.8540		2.5619	3.1624
H6	2.2215	2.2458	1.0943	3.1624	2.5619		1.8540
H7	2.2215	2.2458	1.0943	2.5619	3.1624	1.8540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.409	O1	C2	H4	115.394
O1	C2	H5	115.394	O1	C3	C2	60.409
O1	C3	H6	115.394	O1	C3	H7	115.394
C2	O1	C3	59.182	C2	C3	H6	118.986
C2	C3	H7	118.986	C3	C2	H4	118.986
C3	C2	H5	118.986	H4	C2	H5	115.804
H6	C3	H7	115.804

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

using model chemistry: BLYP/3-21G

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	-0.380
2	C	-0.192
3	C	-0.192
4	H	0.191
5	H	0.191
6	H	0.191
7	H	0.191

	x	y	z	Total
	0.000	0.000	-2.110	2.110
CHELPG
AIM
ESP

<r²>	38.433
(<r²>)^1/2	6.199

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

using model chemistry: BLYP/3-21G

States and conformations

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