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	hartrees
Energy at 0K	-153.532466
Energy at 298.15K
HF Energy	-152.928991
Nuclear repulsion energy	75.414281

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.852
C2	0.000	0.732	-0.372
C3	0.000	-0.732	-0.372
H4	0.919	1.264	-0.587
H5	-0.919	1.264	-0.587
H6	-0.919	-1.264	-0.587
H7	0.919	-1.264	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4263	1.4263	2.1240	2.1240	2.1240	2.1240
C2	1.4263		1.4640	1.0831	1.0831	2.2076	2.2076
C3	1.4263	1.4640		2.2076	2.2076	1.0831	1.0831
H4	2.1240	1.0831	2.2076		1.8376	3.1250	2.5276
H5	2.1240	1.0831	2.2076	1.8376		2.5276	3.1250
H6	2.1240	2.2076	1.0831	3.1250	2.5276		1.8376
H7	2.1240	2.2076	1.0831	2.5276	3.1250	1.8376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.123	O1	C2	H4	114.958
O1	C2	H5	114.958	O1	C3	C2	59.123
O1	C3	H6	114.958	O1	C3	H7	114.958
C2	O1	C3	61.754	C2	C3	H6	119.408
C2	C3	H7	119.408	C3	C2	H4	119.408
C3	C2	H5	119.408	H4	C2	H5	116.063
H6	C3	H7	116.063

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

using model chemistry: CCSD/daug-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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All results from a given calculation for C2H4O (Ethylene oxide)

using model chemistry: CCSD/daug-cc-pVTZ

States and conformations

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