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	hartrees
Energy at 0K	-152.000703
Energy at 298.15K
HF Energy	-152.000703
Nuclear repulsion energy	74.332113

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	3329	3005	1.87	164.04	0.11	0.20
2	A₁	1681	1518	0.01	4.94	0.67	0.80
3	A₁	1325	1196	12.37	17.50	0.14	0.25
4	A₁	1248	1127	1.61	17.52	0.20	0.33
5	A₁	887	801	43.63	12.54	0.73	0.85
6	A₂	3407	3075	0.00	94.87	0.75	0.86
7	A₂	1296	1170	0.00	5.33	0.75	0.86
8	A₂	1096	989	0.00	0.00	0.75	0.86
9	B₁	3425	3092	32.04	9.25	0.75	0.86
10	B₁	1220	1101	4.35	18.40	0.75	0.86
11	B₁	908	819	0.00	7.98	0.75	0.86
12	B₂	3315	2992	21.90	5.21	0.75	0.86
13	B₂	1655	1494	0.02	4.21	0.75	0.86
14	B₂	1268	1144	10.31	1.57	0.75	0.86
15	B₂	891	805	2.42	16.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.883
C2	0.000	0.737	-0.388
C3	0.000	-0.737	-0.388
H4	0.909	1.260	-0.603
H5	-0.909	1.260	-0.603
H6	-0.909	-1.260	-0.603
H7	0.909	-1.260	-0.603

	O1	C2	C3	H4	H5	H6	H7
O1		1.4694	1.4694	2.1502	2.1502	2.1502	2.1502
C2	1.4694		1.4744	1.0707	1.0707	2.2051	2.2051
C3	1.4694	1.4744		2.2051	2.2051	1.0707	1.0707
H4	2.1502	1.0707	2.2051		1.8183	3.1079	2.5204
H5	2.1502	1.0707	2.2051	1.8183		2.5204	3.1079
H6	2.1502	2.2051	1.0707	3.1079	2.5204		1.8183
H7	2.1502	2.2051	1.0707	2.5204	3.1079	1.8183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.889	O1	C2	H4	114.754
O1	C2	H5	114.754	O1	C3	C2	59.889
O1	C3	H6	114.754	O1	C3	H7	114.754
C2	O1	C3	60.222	C2	C3	H6	119.243
C2	C3	H7	119.243	C3	C2	H4	119.243
C3	C2	H5	119.243	H4	C2	H5	116.239
H6	C3	H7	116.239

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

using model chemistry: HF/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	-0.552
2	C	-0.191
3	C	-0.191
4	H	0.234
5	H	0.234
6	H	0.234
7	H	0.234

	x	y	z	Total
	0.000	0.000	-2.784	2.784
CHELPG	0.000	0.000	-2.803	2.803
AIM
ESP

<r²>	37.086
(<r²>)^1/2	6.090

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

using model chemistry: HF/3-21G*

States and conformations

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