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	hartrees
Energy at 0K	-151.796619
Energy at 298.15K
HF Energy	-151.796619
Nuclear repulsion energy	73.860008

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	3413	3413	0.02	66.55	0.10	0.18
2	A₁	1690	1690	0.11	11.82	0.62	0.77
3	A₁	1417	1417	1.82	18.53	0.33	0.49
4	A₁	1285	1285	4.34	1.34	0.26	0.42
5	A₁	1010	1010	8.11	7.83	0.73	0.84
6	A₂	3548	3548	0.00	48.67	0.75	0.86
7	A₂	1233	1233	0.00	6.50	0.75	0.86
8	A₂	1083	1083	0.00	0.11	0.75	0.86
9	B₁	3556	3556	0.55	7.59	0.75	0.86
10	B₁	1202	1202	7.11	11.33	0.75	0.86
11	B₁	873	873	0.00	3.60	0.75	0.86
12	B₂	3399	3399	6.55	4.46	0.75	0.86
13	B₂	1633	1633	0.06	5.25	0.75	0.86
14	B₂	1232	1232	0.94	0.11	0.75	0.86
15	B₂	1113	1113	0.00	6.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.876
C2	0.000	0.748	-0.375
C3	0.000	-0.748	-0.375
H4	0.924	1.286	-0.628
H5	-0.924	1.286	-0.628
H6	-0.924	-1.286	-0.628
H7	0.924	-1.286	-0.628

	O1	C2	C3	H4	H5	H6	H7
O1		1.4573	1.4573	2.1839	2.1839	2.1839	2.1839
C2	1.4573		1.4969	1.0990	1.0990	2.2491	2.2491
C3	1.4573	1.4969		2.2491	2.2491	1.0990	1.0990
H4	2.1839	1.0990	2.2491		1.8488	3.1680	2.5725
H5	2.1839	1.0990	2.2491	1.8488		2.5725	3.1680
H6	2.1839	2.2491	1.0990	3.1680	2.5725		1.8488
H7	2.1839	2.2491	1.0990	2.5725	3.1680	1.8488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.097	O1	C2	H4	116.670
O1	C2	H5	116.670	O1	C3	C2	59.097
O1	C3	H6	116.670	O1	C3	H7	116.670
C2	O1	C3	61.805	C2	C3	H6	119.298
C2	C3	H7	119.298	C3	C2	H4	119.298
C3	C2	H5	119.298	H4	C2	H5	114.524
H6	C3	H7	114.524

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

using model chemistry: M06-2X/STO-3G

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	-0.175
2	C	-0.079
3	C	-0.079
4	H	0.083
5	H	0.083
6	H	0.083
7	H	0.083

	x	y	z	Total
	0.000	0.000	-1.317	1.317
CHELPG
AIM
ESP

<r²>	36.734
(<r²>)^1/2	6.061

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

using model chemistry: M06-2X/STO-3G

States and conformations

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