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	hartrees
Energy at 0K	-303.359549
Energy at 298.15K
HF Energy	-302.526027
Nuclear repulsion energy	196.424832

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.183
C2	0.000	1.120	0.323
C3	0.000	-1.120	0.323
O4	0.361	0.619	-0.949
O5	-0.361	-0.619	-0.949
H6	0.766	1.837	0.613
H7	-0.766	-1.837	0.613
H8	-0.990	1.583	0.303
H9	0.990	-1.583	0.303

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4124	1.4124	2.2495	2.2495	2.0703	2.0703	2.0640	2.0640
C2	1.4124		2.2408	1.4142	2.1854	1.0877	3.0685	1.0932	2.8789
C3	1.4124	2.2408		2.1854	1.4142	3.0685	1.0877	2.8789	1.0932
O4	2.2495	1.4142	2.1854		1.4341	2.0209	3.1211	2.0792	2.6102
O5	2.2495	2.1854	1.4142	1.4341		3.1211	2.0209	2.6102	2.0792
H6	2.0703	1.0877	3.0685	2.0209	3.1211		3.9801	1.8012	3.4408
H7	2.0703	3.0685	1.0877	3.1211	2.0209	3.9801		3.4408	1.8012
H8	2.0640	1.0932	2.8789	2.0792	2.6102	1.8012	3.4408		3.7341
H9	2.0640	2.8789	1.0932	2.6102	2.0792	3.4408	1.8012	3.7341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	105.468	O1	C2	H6	111.136
O1	C2	H8	110.274	O1	C3	O5	105.468
O1	C3	H7	111.136	O1	C3	H9	110.274
C2	O1	C3	104.982	C2	O4	O5	100.215
C3	O5	O4	100.215	O4	C2	H6	107.022
O4	C2	H8	111.396	O5	C3	H7	107.022
O5	C3	H9	111.396	H6	C2	H8	111.354
H7	C3	H9	111.354

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP3/6-31+G**

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 C2H4O3 (trioxolane124)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)