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	hartrees
Energy at 0K	-303.343023
Energy at 298.15K	-303.349842
HF Energy	-302.519658
Nuclear repulsion energy	196.417658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3001	1.10
2	A	3116	2923	0.52
3	A	1600	1502	0.02
4	A	1477	1385	16.85
5	A	1271	1193	3.96
6	A	1193	1120	0.20
7	A	1116	1047	41.40
8	A	1021	958	48.84
9	A	902	846	15.54
10	A	777	729	0.39
11	A	389	365	6.44
12	B	3199	3001	49.06
13	B	3113	2921	108.35
14	B	1588	1490	6.40
15	B	1412	1325	2.52
16	B	1264	1186	7.13
17	B	1184	1111	14.72
18	B	1167	1095	197.53
19	B	1024	960	3.60
20	B	737	691	3.22
21	B	175	164	19.81

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	0.362	0.618	-0.948
O5	-0.362	-0.618	-0.948
H6	0.770	1.839	0.614
H7	-0.770	-1.839	0.614
H8	-0.995	1.583	0.301
H9	0.995	-1.583	0.301

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4122	1.4122	2.2483	2.2483	2.0727	2.0727	2.0673	2.0673
C2	1.4122		2.2403	1.4138	2.1838	1.0924	3.0710	1.0976	2.8804
C3	1.4122	2.2403		2.1838	1.4138	3.0710	1.0924	2.8804	1.0976
O4	2.2483	1.4138	2.1838		1.4334	2.0237	3.1239	2.0815	2.6085
O5	2.2483	2.1838	1.4138	1.4334		3.1239	2.0237	2.6085	2.0815
H6	2.0727	1.0924	3.0710	2.0237	3.1239		3.9863	1.8106	3.4430
H7	2.0727	3.0710	1.0924	3.1239	2.0237	3.9863		3.4430	1.8106
H8	2.0673	1.0976	2.8804	2.0815	2.6085	1.8106	3.4430		3.7392
H9	2.0673	2.8804	1.0976	2.6085	2.0815	3.4430	1.8106	3.7392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	105.421	O1	C2	H6	111.058
O1	C2	H8	110.288	O1	C3	O5	105.421
O1	C3	H7	111.058	O1	C3	H9	110.288
C2	O1	C3	104.974	C2	O4	O5	100.169
C3	O5	O4	100.169	O4	C2	H6	107.003
O4	C2	H8	111.328	O5	C3	H7	107.003
O5	C3	H9	111.328	H6	C2	H8	111.536
H7	C3	H9	111.536

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)