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	hartrees
Energy at 0K	-303.441898
Energy at 298.15K	-303.448601
HF Energy	-302.562237
Nuclear repulsion energy	194.731598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3053	0.03
2	A	3086	2960	0.41
3	A	1522	1460	0.00
4	A	1404	1347	6.90
5	A	1220	1170	4.50
6	A	1137	1091	0.35
7	A	1043	1000	33.74
8	A	958	919	74.73
9	A	805	772	8.75
10	A	733	703	0.75
11	A	383	367	7.06
12	B	3183	3053	27.39
13	B	3085	2958	108.81
14	B	1513	1451	1.30
15	B	1363	1307	3.56
16	B	1213	1164	5.53
17	B	1132	1085	10.58
18	B	1083	1039	176.69
19	B	945	906	9.07
20	B	689	661	2.21
21	B	171	164	18.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.200
C2	0.000	1.127	0.318
C3	0.000	-1.127	0.318
O4	-0.400	-0.623	-0.950
O5	0.400	0.623	-0.950
H6	-1.012	1.559	0.267
H7	1.012	-1.559	0.267
H8	0.766	1.853	0.623
H9	-0.766	-1.853	0.623

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4308	1.4308	2.2742	2.2742	2.0802	2.0802	2.0867	2.0867
C2	1.4308		2.2538	2.1983	1.4223	1.1020	2.8711	1.0988	3.0921
C3	1.4308	2.2538		1.4223	2.1983	2.8711	1.1020	3.0921	1.0988
O4	2.2742	2.1983	1.4223		1.4811	2.5730	2.0860	3.1572	2.0302
O5	2.2742	1.4223	2.1983	1.4811		2.0860	2.5730	2.0302	3.1572
H6	2.0802	1.1020	2.8711	2.5730	2.0860		3.7182	1.8375	3.4399
H7	2.0802	2.8711	1.1020	2.0860	2.5730	3.7182		3.4399	1.8375
H8	2.0867	1.0988	3.0921	3.1572	2.0302	1.8375	3.4399		4.0107
H9	2.0867	3.0921	1.0988	2.0302	3.1572	3.4399	1.8375	4.0107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.246	O1	C2	H6	109.750
O1	C2	H8	110.473	O1	C3	O5	74.246
O1	C3	H7	109.750	O1	C3	H9	110.473
C2	O1	C3	103.927	C2	O4	O5	39.794
C3	O5	O4	39.794	O4	C2	H6	96.797
O4	C2	H8	144.395	O5	C3	H7	96.797
O5	C3	H9	144.395	H6	C2	H8	113.214
H7	C3	H9	113.214

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)