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	hartrees
Energy at 0K	-303.382769
Energy at 298.15K	-303.389509
HF Energy	-302.530273
Nuclear repulsion energy	195.382217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3236	3039	0.07
2	A	3138	2947	0.27
3	A	1575	1479	0.00
4	A	1444	1356	14.55
5	A	1247	1171	4.33
6	A	1166	1095	0.14
7	A	1063	998	34.89
8	A	975	915	77.66
9	A	823	773	10.89
10	A	742	697	0.84
11	A	391	367	8.11
12	B	3236	3039	27.62
13	B	3137	2946	101.01
14	B	1567	1472	2.93
15	B	1397	1312	2.66
16	B	1237	1162	5.71
17	B	1161	1091	11.81
18	B	1117	1049	188.55
19	B	967	908	7.19
20	B	704	661	2.82
21	B	172	162	22.73

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.193
C2	0.000	1.125	0.320
C3	0.000	-1.125	0.320
O4	-0.396	-0.625	-0.948
O5	0.396	0.625	-0.948
H6	-1.001	1.556	0.273
H7	1.001	-1.556	0.273
H8	0.758	1.844	0.621
H9	-0.758	-1.844	0.621

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4244	1.4244	2.2650	2.2650	2.0661	2.0661	2.0740	2.0740
C2	1.4244		2.2510	2.1975	1.4189	1.0902	2.8624	1.0869	3.0794
C3	1.4244	2.2510		1.4189	2.1975	2.8624	1.0902	3.0794	1.0869
O4	2.2650	2.1975	1.4189		1.4805	2.5717	2.0749	3.1449	2.0191
O5	2.2650	1.4189	2.1975	1.4805		2.0749	2.5717	2.0191	3.1449
H6	2.0661	1.0902	2.8624	2.5717	2.0749		3.6998	1.8157	3.4263
H7	2.0661	2.8624	1.0902	2.0749	2.5717	3.6998		3.4263	1.8157
H8	2.0740	1.0869	3.0794	3.1449	2.0191	1.8157	3.4263		3.9872
H9	2.0740	3.0794	1.0869	2.0191	3.1449	3.4263	1.8157	3.9872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.976	O1	C2	H6	109.784
O1	C2	H8	110.629	O1	C3	O5	73.976
O1	C3	H7	109.784	O1	C3	H9	110.629
C2	O1	C3	104.394	C2	O4	O5	39.682
C3	O5	O4	39.682	O4	C2	H6	97.142
O4	C2	H8	144.309	O5	C3	H7	97.142
O5	C3	H9	144.309	H6	C2	H8	113.015
H7	C3	H9	113.015

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)