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	hartrees
Energy at 0K	-153.810263
Energy at 298.15K
HF Energy	-153.810263
Nuclear repulsion energy	75.773925

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.845
C2	0.000	0.729	-0.367
C3	0.000	-0.729	-0.367
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		1.4146	1.4146	2.1181	2.1181	2.1181	2.1181
C2	1.4146		1.4588	1.0842	1.0842	2.2046	2.2046
C3	1.4146	1.4588		2.2046	2.2046	1.0842	1.0842
H4	2.1181	1.0842	2.2046		1.8362	3.1227	2.5258
H5	2.1181	1.0842	2.2046	1.8362		2.5258	3.1227
H6	2.1181	2.2046	1.0842	3.1227	2.5258		1.8362
H7	2.1181	2.2046	1.0842	2.5258	3.1227	1.8362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.960	O1	C2	H4	115.273
O1	C2	H5	115.273	O1	C3	C2	58.960
O1	C3	H6	115.273	O1	C3	H7	115.273
C2	O1	C3	62.079	C2	C3	H6	119.475
C2	C3	H7	119.475	C3	C2	H4	119.475
C3	C2	H5	119.475	H4	C2	H5	115.725
H6	C3	H7	115.725

Number	Element	Mulliken
1	O	-0.676
2	C	0.035
3	C	0.035
4	H	0.152
5	H	0.152
6	H	0.152
7	H	0.152

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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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<r²>	36.169
(<r²>)^1/2	6.014

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

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

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