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	hartrees
Energy at 0K	-153.838847
Energy at 298.15K
HF Energy	-153.838847
Nuclear repulsion energy	75.144594

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	3086	3086	14.08	229.73	0.09	0.17
2	A₁	1547	1547	3.59	2.07	0.74	0.85
3	A₁	1304	1304	13.96	25.91	0.15	0.26
4	A₁	1146	1146	0.03	1.45	0.50	0.67
5	A₁	905	905	66.70	10.81	0.74	0.85
6	A₂	3160	3160	0.00	124.70	0.75	0.86
7	A₂	1174	1174	0.00	2.99	0.75	0.86
8	A₂	1040	1040	0.00	0.03	0.75	0.86
9	B₁	3176	3176	68.98	19.00	0.75	0.86
10	B₁	1164	1164	3.84	11.38	0.75	0.86
11	B₁	813	813	0.00	6.50	0.75	0.86
12	B₂	3078	3078	48.24	11.03	0.75	0.86
13	B₂	1513	1513	0.21	6.33	0.75	0.86
14	B₂	1138	1138	2.11	2.35	0.75	0.86
15	B₂	853	853	12.06	3.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.856
C2	0.000	0.733	-0.373
C3	0.000	-0.733	-0.373
H4	0.921	1.270	-0.592
H5	-0.921	1.270	-0.592
H6	-0.921	-1.270	-0.592
H7	0.921	-1.270	-0.592

	O1	C2	C3	H4	H5	H6	H7
O1		1.4314	1.4314	2.1348	2.1348	2.1348	2.1348
C2	1.4314		1.4669	1.0878	1.0878	2.2156	2.2156
C3	1.4314	1.4669		2.2156	2.2156	1.0878	1.0878
H4	2.1348	1.0878	2.2156		1.8412	3.1370	2.5398
H5	2.1348	1.0878	2.2156	1.8412		2.5398	3.1370
H6	2.1348	2.2156	1.0878	3.1370	2.5398		1.8412
H7	2.1348	2.2156	1.0878	2.5398	3.1370	1.8412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.177	O1	C2	H4	115.185
O1	C2	H5	115.185	O1	C3	C2	59.177
O1	C3	H6	115.185	O1	C3	H7	115.185
C2	O1	C3	61.646	C2	C3	H6	119.548
C2	C3	H7	119.548	C3	C2	H4	119.548
C3	C2	H5	119.548	H4	C2	H5	115.631
H6	C3	H7	115.631

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

using model chemistry: TPSSh/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	-0.318
2	C	-0.082
3	C	-0.082
4	H	0.120
5	H	0.120
6	H	0.120
7	H	0.120

	x	y	z	Total
	0.000	0.000	-1.940	1.940
CHELPG
AIM
ESP

<r²>	36.490
(<r²>)^1/2	6.041

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

using model chemistry: TPSSh/6-311G**

States and conformations

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