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	hartrees
Energy at 0K	-303.206154
Energy at 298.15K	-303.213064
HF Energy	-302.522741
Nuclear repulsion energy	198.101775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3277	3027	1.46
2	A	3194	2950	0.71
3	A	1645	1520	0.05
4	A	1526	1410	23.64
5	A	1308	1209	4.63
6	A	1231	1137	1.82
7	A	1174	1084	48.17
8	A	1063	982	37.27
9	A	980	905	36.04
10	A	805	744	0.18
11	A	393	363	6.59
12	B	3278	3028	55.46
13	B	3191	2947	120.06
14	B	1632	1508	9.46
15	B	1456	1345	3.94
16	B	1301	1202	7.05
17	B	1224	1130	27.55
18	B	1212	1120	208.24
19	B	1061	980	4.18
20	B	766	707	3.65
21	B	179	166	20.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.174
C2	0.000	1.116	0.320
C3	0.000	-1.116	0.320
O4	-0.364	-0.613	-0.940
O5	0.364	0.613	-0.940
H6	-0.992	1.564	0.288
H7	0.992	-1.564	0.288
H8	0.760	1.833	0.615
H9	-0.760	-1.833	0.615

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4050	1.4050	2.2308	2.2308	2.0528	2.0528	2.0611	2.0611
C2	1.4050		2.2317	2.1699	1.4047	1.0887	2.8576	1.0851	3.0589
C3	1.4050	2.2317		1.4047	2.1699	2.8576	1.0887	3.0589	1.0851
O4	2.2308	2.1699	1.4047		1.4253	2.5769	2.0616	3.1078	2.0152
O5	2.2308	1.4047	2.1699	1.4253		2.0616	2.5769	2.0152	3.1078
H6	2.0528	1.0887	2.8576	2.5769	2.0616		3.7038	1.8016	3.4201
H7	2.0528	2.8576	1.0887	2.0616	2.5769	3.7038		3.4201	1.8016
H8	2.0611	1.0851	3.0589	3.1078	2.0152	1.8016	3.4201		3.9676
H9	2.0611	3.0589	1.0851	2.0152	3.1078	3.4201	1.8016	3.9676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.751	O1	C2	H6	110.167
O1	C2	H8	111.084	O1	C3	O5	73.751
O1	C3	H7	110.167	O1	C3	H9	111.084
C2	O1	C3	105.158	C2	O4	O5	39.591
C3	O5	O4	39.591	O4	C2	H6	99.094
O4	C2	H8	143.245	O5	C3	H7	99.094
O5	C3	H9	143.245	H6	C2	H8	111.947
H7	C3	H9	111.947

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)