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	hartrees
Energy at 0K	-301.345768
Energy at 298.15K
HF Energy	-300.769416
Nuclear repulsion energy	185.061312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3061	28.88
2	A'	3130	2989	21.13
3	A'	1601	1528	0.22
4	A'	1353	1292	0.27
5	A'	1230	1175	2.77
6	A'	935	892	2.91
7	A'	892	852	3.32
8	A'	888	848	7.82
9	A'	849	810	1.49
10	A'	625	596	1.50
11	A'	337	322	5.36
12	A"	3184	3040	0.09
13	A"	3120	2979	20.54
14	A"	1584	1512	0.30
15	A"	1380	1318	5.05
16	A"	1275	1218	0.25
17	A"	1132	1080	0.07
18	A"	954	911	5.58
19	A"	779	744	23.32
20	A"	685	654	6.53
21	A"	40i	39i	3.47

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	2.2891	2.2891	3.1824	3.1824	2.8018	2.8018
O2	1.4756		2.2853	1.4580	2.3925	2.0576	3.1303	2.1138	3.1360
O3	1.4756	2.2853		2.3925	1.4580	3.1303	2.0576	3.1360	2.1138
C4	2.2891	1.4580	2.3925		1.5747	1.0877	2.2400	1.0911	2.2110
C5	2.2891	2.3925	1.4580	1.5747		2.2400	1.0877	2.2110	1.0911
H6	3.1824	2.0576	3.1303	1.0877	2.2400		2.4352	1.7880	2.9859
H7	3.1824	3.1303	2.0576	2.2400	1.0877	2.4352		2.9859	1.7880
H8	2.8018	2.1138	3.1360	1.0911	2.2110	1.7880	2.9859		2.3483
H9	2.8018	3.1360	2.1138	2.2110	1.0911	2.9859	1.7880	2.3483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.579	O1	O3	C5	102.579
O2	O1	O3	101.489	O2	C4	C5	104.105
O2	C4	H6	106.952	O2	C4	H8	111.224
O3	C5	C4	104.105	O3	C5	H7	106.952
O3	C5	H9	111.224	C4	C5	H7	113.301
C4	C5	H9	110.764	C5	C4	H6	113.301
C5	C4	H8	110.764	H6	C4	H8	110.287
H7	C5	H9	110.287

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

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

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