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	hartrees
Energy at 0K	-153.810886
Energy at 298.15K
HF Energy	-153.810886
Nuclear repulsion energy	75.697509

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	3116	2986	16.34	242.85	0.06	0.12
2	A₁	1546	1481	3.00	2.59	0.25	0.40
3	A₁	1325	1269	16.72	30.19	0.11	0.20
4	A₁	1161	1112	0.02	2.52	0.24	0.39
5	A₁	923	884	72.06	7.76	0.70	0.83
6	A₂	3192	3059	0.00	107.64	0.75	0.86
7	A₂	1177	1128	0.00	0.77	0.75	0.86
8	A₂	1057	1013	0.00	0.03	0.75	0.86
9	B₁	3208	3073	37.37	21.27	0.75	0.86
10	B₁	1180	1131	4.20	3.38	0.75	0.86
11	B₁	821	787	0.25	2.72	0.75	0.86
12	B₂	3108	2978	34.65	9.75	0.75	0.86
13	B₂	1505	1442	0.32	3.37	0.75	0.86
14	B₂	1170	1121	0.27	0.25	0.75	0.86
15	B₂	892	854	11.06	3.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.847
C2	0.000	0.729	-0.369
C3	0.000	-0.729	-0.369
H4	0.918	1.263	-0.587
H5	-0.918	1.263	-0.587
H6	-0.918	-1.263	-0.587
H7	0.918	-1.263	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4176	1.4176	2.1200	2.1200	2.1200	2.1200
C2	1.4176		1.4580	1.0845	1.0845	2.2042	2.2042
C3	1.4176	1.4580		2.2042	2.2042	1.0845	1.0845
H4	2.1200	1.0845	2.2042		1.8367	3.1230	2.5257
H5	2.1200	1.0845	2.2042	1.8367		2.5257	3.1230
H6	2.1200	2.2042	1.0845	3.1230	2.5257		1.8367
H7	2.1200	2.2042	1.0845	2.5257	3.1230	1.8367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.053	O1	C2	H4	115.196
O1	C2	H5	115.196	O1	C3	C2	59.053
O1	C3	H6	115.196	O1	C3	H7	115.196
C2	O1	C3	61.893	C2	C3	H6	119.492
C2	C3	H7	119.492	C3	C2	H4	119.492
C3	C2	H5	119.492	H4	C2	H5	115.742
H6	C3	H7	115.742

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

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	-0.568
2	C	-0.235
3	C	-0.235
4	H	0.259
5	H	0.259
6	H	0.259
7	H	0.259

	x	y	z	Total
	0.000	0.000	-1.851	1.851
CHELPG
AIM
ESP

<r²>	36.243
(<r²>)^1/2	6.020

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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