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	hartrees
Energy at 0K	-302.869202
Energy at 298.15K
HF Energy	-302.276820
Nuclear repulsion energy	183.901277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3059	27.28
2	A'	3115	2980	20.30
3	A'	1572	1504	0.30
4	A'	1355	1296	0.17
5	A'	1212	1160	2.04
6	A'	972	930	0.41
7	A'	886	848	0.53
8	A'	858	821	14.64
9	A'	722	691	2.29
10	A'	615	588	1.87
11	A'	326	312	5.92
12	A"	3176	3039	0.36
13	A"	3106	2972	16.13
14	A"	1559	1492	1.36
15	A"	1379	1320	0.38
16	A"	1255	1201	0.01
17	A"	1131	1082	0.24
18	A"	928	888	0.73
19	A"	684	655	25.50
20	A"	604	578	15.18
21	A"	43i	41i	3.91

Atom	x (Å)	y (Å)	z (Å)
O1	-0.548	-1.120	0.000
O2	0.136	-0.488	1.141
O3	0.136	-0.488	-1.141
C4	0.136	0.931	0.788
C5	0.136	0.931	-0.788
H6	1.036	1.366	1.228
H7	1.036	1.366	-1.228
H8	-0.755	1.431	1.182
H9	-0.755	1.431	-1.182

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4727	1.4727	2.3015	2.3015	3.1927	3.1927	2.8187	2.8187
O2	1.4727		2.2819	1.4628	2.3952	2.0624	3.1396	2.1163	3.1419
O3	1.4727	2.2819		2.3952	1.4628	3.1396	2.0624	3.1419	2.1163
C4	2.3015	1.4628	2.3952		1.5765	1.0911	2.2498	1.0948	2.2191
C5	2.3015	2.3952	1.4628	1.5765		2.2498	1.0911	2.2191	1.0948
H6	3.1927	2.0624	3.1396	1.0911	2.2498		2.4556	1.7922	3.0026
H7	3.1927	3.1396	2.0624	2.2498	1.0911	2.4556		3.0026	1.7922
H8	2.8187	2.1163	3.1419	1.0948	2.2191	1.7922	3.0026		2.3634
H9	2.8187	3.1419	2.1163	2.2191	1.0948	3.0026	1.7922	2.3634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.261	O1	O3	C5	103.261
O2	O1	O3	101.561	O2	C4	C5	103.953
O2	C4	H6	106.813	O2	C4	H8	110.860
O3	C5	C4	103.953	O3	C5	H7	106.813
O3	C5	H9	110.860	C4	C5	H7	113.757
C4	C5	H9	111.065	C5	C4	H6	113.757
C5	C4	H8	111.065	H6	C4	H8	110.148
H7	C5	H9	110.148

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)

using model chemistry: MP2/6-31G

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 (1,2,3-trioxolane)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)