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	hartrees
Energy at 0K	-153.800833
Energy at 298.15K
HF Energy	-153.800833
Nuclear repulsion energy	74.996069

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	3106	2990	14.73	217.15	0.10	0.18
2	A₁	1545	1488	4.46	3.13	0.52	0.69
3	A₁	1302	1253	14.20	31.07	0.14	0.24
4	A₁	1152	1109	0.01	2.38	0.15	0.27
5	A₁	889	856	77.85	11.82	0.74	0.85
6	A₂	3183	3064	0.00	119.17	0.75	0.86
7	A₂	1176	1133	0.00	2.75	0.75	0.86
8	A₂	1041	1002	0.00	0.23	0.75	0.86
9	B₁	3197	3078	47.65	24.61	0.75	0.86
10	B₁	1166	1122	3.57	6.29	0.75	0.86
11	B₁	817	786	0.16	4.74	0.75	0.86
12	B₂	3099	2983	37.02	11.41	0.75	0.86
13	B₂	1509	1453	0.06	6.53	0.75	0.86
14	B₂	1155	1112	1.10	1.45	0.75	0.86
15	B₂	845	814	11.09	5.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.857
C2	0.000	0.735	-0.375
C3	0.000	-0.735	-0.375
H4	0.922	1.274	-0.590
H5	-0.922	1.274	-0.590
H6	-0.922	-1.274	-0.590
H7	0.922	-1.274	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4346	1.4346	2.1372	2.1372	2.1372	2.1372
C2	1.4346		1.4703	1.0891	1.0891	2.2209	2.2209
C3	1.4346	1.4703		2.2209	2.2209	1.0891	1.0891
H4	2.1372	1.0891	2.2209		1.8433	3.1448	2.5480
H5	2.1372	1.0891	2.2209	1.8433		2.5480	3.1448
H6	2.1372	2.2209	1.0891	3.1448	2.5480		1.8433
H7	2.1372	2.2209	1.0891	2.5480	3.1448	1.8433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.173	O1	C2	H4	115.054
O1	C2	H5	115.054	O1	C3	C2	59.173
O1	C3	H6	115.054	O1	C3	H7	115.054
C2	O1	C3	61.653	C2	C3	H6	119.652
C2	C3	H7	119.652	C3	C2	H4	119.652
C3	C2	H5	119.652	H4	C2	H5	115.603
H6	C3	H7	115.603

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

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.342
2	C	-0.113
3	C	-0.113
4	H	0.142
5	H	0.142
6	H	0.142
7	H	0.142

	x	y	z	Total
	0.000	0.000	-2.143	2.143
CHELPG
AIM
ESP

<r²>	36.862
(<r²>)^1/2	6.071

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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