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	hartrees
Energy at 0K	-153.653525
Energy at 298.15K
HF Energy	-152.938124
Nuclear repulsion energy	75.841970

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.846
C2	0.000	0.728	-0.369
C3	0.000	-0.728	-0.369
H4	0.915	1.258	-0.586
H5	-0.915	1.258	-0.586
H6	-0.915	-1.258	-0.586
H7	0.915	-1.258	-0.586

	O1	C2	C3	H4	H5	H6	H7
O1		1.4165	1.4165	2.1142	2.1142	2.1142	2.1142
C2	1.4165		1.4563	1.0792	1.0792	2.1973	2.1973
C3	1.4165	1.4563		2.1973	2.1973	1.0792	1.0792
H4	2.1142	1.0792	2.1973		1.8297	3.1108	2.5157
H5	2.1142	1.0792	2.1973	1.8297		2.5157	3.1108
H6	2.1142	2.1973	1.0792	3.1108	2.5157		1.8297
H7	2.1142	2.1973	1.0792	2.5157	3.1108	1.8297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.067	O1	C2	H4	115.131
O1	C2	H5	115.131	O1	C3	C2	59.067
O1	C3	H6	115.131	O1	C3	H7	115.131
C2	O1	C3	61.865	C2	C3	H6	119.397
C2	C3	H7	119.397	C3	C2	H4	119.397
C3	C2	H5	119.397	H4	C2	H5	115.935
H6	C3	H7	115.935

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

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

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

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