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	hartrees
Energy at 0K	-301.424614
Energy at 298.15K	-301.431171
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	3024	1.17
2	A	3079	2959	0.22
3	A	1600	1538	0.00
4	A	1418	1363	3.07
5	A	1215	1168	0.40
6	A	1127	1083	1.92
7	A	985	947	8.83
8	A	911	875	26.42
9	A	836	804	17.34
10	A	704	676	0.52
11	A	346	332	6.55
12	B	3149	3026	54.23
13	B	3075	2955	80.21
14	B	1582	1520	8.34
15	B	1359	1306	1.40
16	B	1192	1146	1.89
17	B	1118	1075	13.64
18	B	1032	991	145.05
19	B	854	821	1.42
20	B	648	623	4.87
21	B	168	161	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)