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	hartrees
Energy at 0K	-153.751899
Energy at 298.15K
HF Energy	-153.751899
Nuclear repulsion energy	74.909116

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	3029	2986	18.70	250.07	0.09	0.16
2	A₁	1510	1488	3.76	2.46	0.75	0.86
3	A₁	1267	1249	12.18	27.67	0.13	0.23
4	A₁	1113	1097	0.02	2.00	0.44	0.62
5	A₁	874	861	67.91	11.57	0.75	0.85
6	A₂	3101	3057	0.00	127.50	0.75	0.86
7	A₂	1153	1137	0.00	1.86	0.75	0.86
8	A₂	1016	1001	0.00	0.04	0.75	0.86
9	B₁	3118	3073	67.66	23.96	0.75	0.86
10	B₁	1141	1125	2.49	10.10	0.75	0.86
11	B₁	805	793	0.01	8.01	0.75	0.86
12	B₂	3023	2980	50.37	14.23	0.75	0.86
13	B₂	1480	1459	0.15	7.12	0.75	0.86
14	B₂	1110	1094	4.08	3.95	0.75	0.86
15	B₂	814	802	15.01	2.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.860
C2	0.000	0.735	-0.374
C3	0.000	-0.735	-0.374
H4	0.923	1.273	-0.597
H5	-0.923	1.273	-0.597
H6	-0.923	-1.273	-0.597
H7	0.923	-1.273	-0.597

	O1	C2	C3	H4	H5	H6	H7
O1		1.4367	1.4367	2.1437	2.1437	2.1437	2.1437
C2	1.4367		1.4690	1.0915	1.0915	2.2204	2.2204
C3	1.4367	1.4690		2.2204	2.2204	1.0915	1.0915
H4	2.1437	1.0915	2.2204		1.8463	3.1443	2.5452
H5	2.1437	1.0915	2.2204	1.8463		2.5452	3.1443
H6	2.1437	2.2204	1.0915	3.1443	2.5452		1.8463
H7	2.1437	2.2204	1.0915	2.5452	3.1443	1.8463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.253	O1	C2	H4	115.300
O1	C2	H5	115.300	O1	C3	C2	59.253
O1	C3	H6	115.300	O1	C3	H7	115.300
C2	O1	C3	61.495	C2	C3	H6	119.539
C2	C3	H7	119.539	C3	C2	H4	119.539
C3	C2	H5	119.539	H4	C2	H5	115.510
H6	C3	H7	115.510

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

using model chemistry: B97D3/TZVP

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	-0.245
2	C	-0.111
3	C	-0.111
4	H	0.117
5	H	0.117
6	H	0.117
7	H	0.117

	x	y	z	Total
	0.000	0.000	-1.968	1.968
CHELPG
AIM
ESP

<r²>	36.805
(<r²>)^1/2	6.067

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

using model chemistry: B97D3/TZVP

States and conformations

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