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	hartrees
Energy at 0K	-153.677243
Energy at 298.15K
HF Energy	-153.677243
Nuclear repulsion energy	73.853514

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	3173	3173	4.34	195.56	0.09	0.17
2	A₁	1574	1574	0.32	4.84	0.75	0.86
3	A₁	1294	1294	8.64	23.70	0.14	0.25
4	A₁	1162	1162	5.04	5.92	0.36	0.53
5	A₁	854	854	50.74	12.54	0.71	0.83
6	A₂	3258	3258	0.00	105.99	0.75	0.86
7	A₂	1212	1212	0.00	5.47	0.75	0.86
8	A₂	1028	1028	0.00	0.01	0.75	0.86
9	B₁	3275	3275	43.71	13.46	0.75	0.86
10	B₁	1141	1141	2.06	17.91	0.75	0.86
11	B₁	849	849	0.12	9.95	0.75	0.86
12	B₂	3162	3162	22.98	8.51	0.75	0.86
13	B₂	1548	1548	0.33	5.81	0.75	0.86
14	B₂	1179	1179	10.08	3.41	0.75	0.86
15	B₂	799	799	5.85	9.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.889
C2	0.000	0.738	-0.391
C3	0.000	-0.738	-0.391
H4	0.918	1.274	-0.607
H5	-0.918	1.274	-0.607
H6	-0.918	-1.274	-0.607
H7	0.918	-1.274	-0.607

	O1	C2	C3	H4	H5	H6	H7
O1		1.4775	1.4775	2.1689	2.1689	2.1689	2.1689
C2	1.4775		1.4761	1.0845	1.0845	2.2218	2.2218
C3	1.4775	1.4761		2.2218	2.2218	1.0845	1.0845
H4	2.1689	1.0845	2.2218		1.8356	3.1398	2.5473
H5	2.1689	1.0845	2.2218	1.8356		2.5473	3.1398
H6	2.1689	2.2218	1.0845	3.1398	2.5473		1.8356
H7	2.1689	2.2218	1.0845	2.5473	3.1398	1.8356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	60.029	O1	C2	H4	114.816
O1	C2	H5	114.816	O1	C3	C2	60.029
O1	C3	H6	114.816	O1	C3	H7	114.816
C2	O1	C3	59.941	C2	C3	H6	119.594
C2	C3	H7	119.594	C3	C2	H4	119.594
C3	C2	H5	119.594	H4	C2	H5	115.623
H6	C3	H7	115.623

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

using model chemistry: wB97X-D/6-31G

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	-0.481
2	C	-0.126
3	C	-0.126
4	H	0.183
5	H	0.183
6	H	0.183
7	H	0.183

	x	y	z	Total
	0.000	0.000	-2.599	2.599
CHELPG
AIM
ESP

<r²>	37.301
(<r²>)^1/2	6.107

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

using model chemistry: wB97X-D/6-31G

States and conformations

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