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	hartrees
Energy at 0K	-153.687913
Energy at 298.15K
HF Energy	-152.938221
Nuclear repulsion energy	75.461203

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.853
C2	0.000	0.730	-0.373
C3	0.000	-0.730	-0.373
H4	0.918	1.261	-0.587
H5	-0.918	1.261	-0.587
H6	-0.918	-1.261	-0.587
H7	0.918	-1.261	-0.587

	O1	C2	C3	H4	H5	H6	H7
O1		1.4270	1.4270	2.1228	2.1228	2.1228	2.1228
C2	1.4270		1.4607	1.0816	1.0816	2.2032	2.2032
C3	1.4270	1.4607		2.2032	2.2032	1.0816	1.0816
H4	2.1228	1.0816	2.2032		1.8356	3.1195	2.5222
H5	2.1228	1.0816	2.2032	1.8356		2.5222	3.1195
H6	2.1228	2.2032	1.0816	3.1195	2.5222		1.8356
H7	2.1228	2.2032	1.0816	2.5222	3.1195	1.8356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.217	O1	C2	H4	114.908
O1	C2	H5	114.908	O1	C3	C2	59.217
O1	C3	H6	114.908	O1	C3	H7	114.908
C2	O1	C3	61.566	C2	C3	H6	119.388
C2	C3	H7	119.388	C3	C2	H4	119.388
C3	C2	H5	119.388	H4	C2	H5	116.108
H6	C3	H7	116.108

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

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

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