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	hartrees
Energy at 0K	-301.424614
Energy at 298.15K	-301.431181
HF Energy	-300.847792
Nuclear repulsion energy	188.771400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3146	3049	1.17
2	A	3079	2984	0.22
3	A	1600	1551	0.00
4	A	1418	1375	3.07
5	A	1215	1177	0.40
6	A	1127	1092	1.92
7	A	985	955	8.83
8	A	911	883	26.42
9	A	836	810	17.34
10	A	704	682	0.52
11	A	346	335	6.55
12	B	3149	3052	54.23
13	B	3075	2980	80.21
14	B	1582	1533	8.34
15	B	1359	1317	1.40
16	B	1192	1155	1.89
17	B	1118	1084	13.64
18	B	1032	1000	145.05
19	B	854	828	1.42
20	B	648	628	4.87
21	B	168	163	23.66

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.238
C2	0.000	1.162	0.336
C3	0.000	-1.162	0.336
O4	-0.428	-0.645	-0.986
O5	0.428	0.645	-0.986
H6	-1.004	1.592	0.273
H7	1.004	-1.592	0.273
H8	0.758	1.885	0.648
H9	-0.758	-1.885	0.648

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4711	1.4711	2.3545	2.3545	2.1146	2.1146	2.1154	2.1154
C2	1.4711		2.3244	2.2797	1.4823	1.0936	2.9317	1.0926	3.1553
C3	1.4711	2.3244		1.4823	2.2797	2.9317	1.0936	3.1553	1.0926
O4	2.3545	2.2797	1.4823		1.5485	2.6304	2.1282	3.2366	2.0770
O5	2.3545	1.4823	2.2797	1.5485		2.1282	2.6304	2.0770	3.2366
H6	2.1146	1.0936	2.9317	2.6304	2.1282		3.7633	1.8248	3.5051
H7	2.1146	2.9317	1.0936	2.1282	2.6304	3.7633		3.5051	1.8248
H8	2.1154	1.0926	3.1553	3.2366	2.0770	1.8248	3.5051		4.0629
H9	2.1154	3.1553	1.0926	2.0770	3.2366	3.5051	1.8248	4.0629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.279	O1	C2	H6	110.212
O1	C2	H8	110.334	O1	C3	O5	74.279
O1	C3	H7	110.212	O1	C3	H9	110.334
C2	O1	C3	104.376	C2	O4	O5	40.135
C3	O5	O4	40.135	O4	C2	H6	96.059
O4	C2	H8	145.094	O5	C3	H7	96.059
O5	C3	H9	145.094	H6	C2	H8	113.170
H7	C3	H9	113.170

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)