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	hartrees
Energy at 0K	-153.587269
Energy at 298.15K
HF Energy	-152.929523
Nuclear repulsion energy	75.701893

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.848
C2	0.000	0.729	-0.370
C3	0.000	-0.729	-0.370
H4	0.917	1.259	-0.585
H5	-0.917	1.259	-0.585
H6	-0.917	-1.259	-0.585
H7	0.917	-1.259	-0.585

	O1	C2	C3	H4	H5	H6	H7
O1		1.4202	1.4202	2.1165	2.1165	2.1165	2.1165
C2	1.4202		1.4584	1.0802	1.0802	2.1998	2.1998
C3	1.4202	1.4584		2.1998	2.1998	1.0802	1.0802
H4	2.1165	1.0802	2.1998		1.8333	3.1146	2.5178
H5	2.1165	1.0802	2.1998	1.8333		2.5178	3.1146
H6	2.1165	2.1998	1.0802	3.1146	2.5178		1.8333
H7	2.1165	2.1998	1.0802	2.5178	3.1146	1.8333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.105	O1	C2	H4	114.979
O1	C2	H5	114.979	O1	C3	C2	59.105
O1	C3	H6	114.979	O1	C3	H7	114.979
C2	O1	C3	61.791	C2	C3	H6	119.363
C2	C3	H7	119.363	C3	C2	H4	119.363
C3	C2	H5	119.363	H4	C2	H5	116.114
H6	C3	H7	116.114

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

using model chemistry: CCSD=FULL/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=FULL/daug-cc-pVTZ

States and conformations

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