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	hartrees
Energy at 0K	-153.644665
Energy at 298.15K
HF Energy	-153.644665
Nuclear repulsion energy	75.638480

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	3114	2985	13.92	210.08	0.10	0.18
2	A₁	1562	1497	3.80	1.67	0.58	0.74
3	A₁	1334	1279	15.90	25.17	0.17	0.28
4	A₁	1161	1113	0.11	0.68	0.68	0.81
5	A₁	930	891	72.50	10.92	0.73	0.85
6	A₂	3191	3058	0.00	115.35	0.75	0.86
7	A₂	1186	1137	0.00	2.96	0.75	0.86
8	A₂	1057	1013	0.00	0.14	0.75	0.86
9	B₁	3207	3073	66.58	17.02	0.75	0.86
10	B₁	1189	1140	4.01	11.55	0.75	0.86
11	B₁	825	791	0.01	6.69	0.75	0.86
12	B₂	3104	2976	47.44	10.37	0.75	0.86
13	B₂	1515	1452	0.00	6.23	0.75	0.86
14	B₂	1141	1094	2.69	2.32	0.75	0.86
15	B₂	897	860	13.20	3.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.845
C2	0.000	0.730	-0.368
C3	0.000	-0.730	-0.368
H4	0.921	1.268	-0.586
H5	-0.921	1.268	-0.586
H6	-0.921	-1.268	-0.586
H7	0.921	-1.268	-0.586

	O1	C2	C3	H4	H5	H6	H7
O1		1.4162	1.4162	2.1224	2.1224	2.1224	2.1224
C2	1.4162		1.4606	1.0883	1.0883	2.2107	2.2107
C3	1.4162	1.4606		2.2107	2.2107	1.0883	1.0883
H4	2.1224	1.0883	2.2107		1.8417	3.1335	2.5351
H5	2.1224	1.0883	2.2107	1.8417		2.5351	3.1335
H6	2.1224	2.2107	1.0883	3.1335	2.5351		1.8417
H7	2.1224	2.2107	1.0883	2.5351	3.1335	1.8417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.956	O1	C2	H4	115.246
O1	C2	H5	115.246	O1	C3	C2	58.956
O1	C3	H6	115.246	O1	C3	H7	115.246
C2	O1	C3	62.087	C2	C3	H6	119.582
C2	C3	H7	119.582	C3	C2	H4	119.582
C3	C2	H5	119.582	H4	C2	H5	115.597
H6	C3	H7	115.597

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

using model chemistry: PBE1PBE/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	-0.280
2	C	-0.305
3	C	-0.305
4	H	0.222
5	H	0.222
6	H	0.222
7	H	0.222

	x	y	z	Total
	0.000	0.000	-1.927	1.927
CHELPG
AIM
ESP

<r²>	36.212
(<r²>)^1/2	6.018

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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