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	hartrees
Energy at 0K	-301.336984
Energy at 298.15K
HF Energy	-300.769355
Nuclear repulsion energy	185.036051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3059	29.04
2	A'	3130	2987	21.19
3	A'	1601	1528	0.22
4	A'	1352	1291	0.27
5	A'	1230	1174	2.77
6	A'	934	892	2.88
7	A'	892	851	3.09
8	A'	888	847	8.09
9	A'	849	810	1.48
10	A'	624	596	1.51
11	A'	337	322	5.36
12	A"	3183	3038	0.09
13	A"	3120	2978	20.62
14	A"	1584	1512	0.29
15	A"	1380	1317	5.02
16	A"	1275	1217	0.25
17	A"	1131	1080	0.07
18	A"	954	910	5.58
19	A"	779	744	23.33
20	A"	685	653	6.53
21	A"	40i	38i	3.46

Atom	x (Å)	y (Å)	z (Å)
O1	-0.560	-1.107	0.000
O2	0.139	-0.489	1.143
O3	0.139	-0.489	-1.143
C4	0.139	0.925	0.787
C5	0.139	0.925	-0.787
H6	1.039	1.360	1.218
H7	1.039	1.360	-1.218
H8	-0.748	1.430	1.174
H9	-0.748	1.430	-1.174

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4756	1.4756	2.2892	2.2892	3.1825	3.1825	2.8018	2.8018
O2	1.4756		2.2852	1.4580	2.3926	2.0577	3.1304	2.1139	3.1362
O3	1.4756	2.2852		2.3926	1.4580	3.1304	2.0577	3.1362	2.1139
C4	2.2892	1.4580	2.3926		1.5748	1.0878	2.2402	1.0912	2.2112
C5	2.2892	2.3926	1.4580	1.5748		2.2402	1.0878	2.2112	1.0912
H6	3.1825	2.0577	3.1304	1.0878	2.2402		2.4354	1.7881	2.9862
H7	3.1825	3.1304	2.0577	2.2402	1.0878	2.4354		2.9862	1.7881
H8	2.8018	2.1139	3.1362	1.0912	2.2112	1.7881	2.9862		2.3486
H9	2.8018	3.1362	2.1139	2.2112	1.0912	2.9862	1.7881	2.3486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.579	O1	O3	C5	102.579
O2	O1	O3	101.495	O2	C4	C5	104.101
O2	C4	H6	106.952	O2	C4	H8	111.223
O3	C5	C4	104.101	O3	C5	H7	106.952
O3	C5	H9	111.223	C4	C5	H7	113.302
C4	C5	H9	110.767	C5	C4	H6	113.302
C5	C4	H8	110.767	H6	C4	H8	110.288
H7	C5	H9	110.288

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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