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	hartrees
Energy at 0K	-153.636743
Energy at 298.15K
HF Energy	-153.636743
Nuclear repulsion energy	74.811297

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	3011	2979	16.99	228.70	0.10	0.18
2	A₁	1504	1489	3.22	2.23	0.75	0.86
3	A₁	1278	1264	13.00	24.14	0.16	0.28
4	A₁	1102	1091	0.06	1.06	0.73	0.84
5	A₁	884	875	64.02	11.01	0.74	0.85
6	A₂	3082	3050	0.00	130.32	0.75	0.86
7	A₂	1145	1134	0.00	3.51	0.75	0.86
8	A₂	1010	1000	0.00	0.10	0.75	0.86
9	B₁	3098	3066	79.81	21.75	0.75	0.86
10	B₁	1138	1126	2.42	13.15	0.75	0.86
11	B₁	797	788	0.03	8.58	0.75	0.86
12	B₂	3003	2972	54.03	12.71	0.75	0.86
13	B₂	1466	1451	0.11	7.27	0.75	0.86
14	B₂	1085	1074	3.89	3.14	0.75	0.86
15	B₂	829	820	14.92	2.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.859
C2	0.000	0.736	-0.374
C3	0.000	-0.736	-0.374
H4	0.928	1.277	-0.597
H5	-0.928	1.277	-0.597
H6	-0.928	-1.277	-0.597
H7	0.928	-1.277	-0.597

	O1	C2	C3	H4	H5	H6	H7
O1		1.4358	1.4358	2.1473	2.1473	2.1473	2.1473
C2	1.4358		1.4717	1.0970	1.0970	2.2278	2.2278
C3	1.4358	1.4717		2.2278	2.2278	1.0970	1.0970
H4	2.1473	1.0970	2.2278		1.8553	3.1573	2.5547
H5	2.1473	1.0970	2.2278	1.8553		2.5547	3.1573
H6	2.1473	2.2278	1.0970	3.1573	2.5547		1.8553
H7	2.1473	2.2278	1.0970	2.5547	3.1573	1.8553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.169	O1	C2	H4	115.298
O1	C2	H5	115.298	O1	C3	C2	59.169
O1	C3	H6	115.298	O1	C3	H7	115.298
C2	O1	C3	61.662	C2	C3	H6	119.578
C2	C3	H7	119.578	C3	C2	H4	119.578
C3	C2	H5	119.578	H4	C2	H5	115.483
H6	C3	H7	115.483

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

using model chemistry: PBEPBEultrafine/6-311G*

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	-0.255
2	C	-0.297
3	C	-0.297
4	H	0.212
5	H	0.212
6	H	0.212
7	H	0.212

	x	y	z	Total
	0.000	0.000	-1.835	1.835
CHELPG
AIM
ESP

<r²>	36.851
(<r²>)^1/2	6.070

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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