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	hartrees
Energy at 0K	-303.378408
Energy at 298.15K	-303.385189
HF Energy	-302.539907
Nuclear repulsion energy	196.012603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3187	3029	0.80
2	A	3085	2932	0.46
3	A	1539	1462	0.01
4	A	1442	1370	15.56
5	A	1242	1181	4.23
6	A	1161	1103	0.20
7	A	1076	1022	35.37
8	A	999	949	60.72
9	A	829	788	7.11
10	A	760	722	0.56
11	A	393	374	6.36
12	B	3187	3029	49.46
13	B	3082	2930	143.61
14	B	1527	1452	5.28
15	B	1381	1312	3.08
16	B	1232	1171	7.78
17	B	1154	1097	15.31
18	B	1124	1068	197.02
19	B	986	937	4.76
20	B	716	680	2.86
21	B	176	167	15.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.192
C2	0.000	1.116	0.317
C3	0.000	-1.116	0.317
O4	-0.391	-0.621	-0.945
O5	0.391	0.621	-0.945
H6	-1.009	1.564	0.276
H7	1.009	-1.564	0.276
H8	0.762	1.850	0.617
H9	-0.762	-1.850	0.617

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4178	1.4178	2.2597	2.2597	2.0742	2.0742	2.0821	2.0821
C2	1.4178		2.2324	2.1833	1.4114	1.1046	2.8639	1.0999	3.0775
C3	1.4178	2.2324		1.4114	2.1833	2.8639	1.1046	3.0775	1.0999
O4	2.2597	2.1833	1.4114		1.4680	2.5784	2.0828	3.1433	2.0223
O5	2.2597	1.4114	2.1833	1.4680		2.0828	2.5784	2.0223	3.1433
H6	2.0742	1.1046	2.8639	2.5784	2.0828		3.7220	1.8265	3.4399
H7	2.0742	2.8639	1.1046	2.0828	2.5784	3.7220		3.4399	1.8265
H8	2.0821	1.0999	3.0775	3.1433	2.0223	1.8265	3.4399		4.0024
H9	2.0821	3.0775	1.0999	2.0223	3.1433	3.4399	1.8265	4.0024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.344	O1	C2	H6	110.014
O1	C2	H8	110.945	O1	C3	O5	74.344
O1	C3	H7	110.014	O1	C3	H9	110.945
C2	O1	C3	103.856	C2	O4	O5	39.733
C3	O5	O4	39.733	O4	C2	H6	97.885
O4	C2	H8	144.372	O5	C3	H7	97.885
O5	C3	H9	144.372	H6	C2	H8	111.893
H7	C3	H9	111.893

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2=FULL/cc-pVDZ

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: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)