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	hartrees
Energy at 0K	-303.446723
Energy at 298.15K	-303.453397
HF Energy	-302.538076
Nuclear repulsion energy	194.102613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3028	27.86
2	A'	3115	2953	44.06
3	A'	1559	1478	0.20
4	A'	1400	1327	0.28
5	A'	1280	1213	1.62
6	A'	1066	1011	35.84
7	A'	975	924	13.21
8	A'	954	904	4.37
9	A'	883	837	0.95
10	A'	733	695	2.32
11	A'	420	398	4.40
12	A"	3177	3012	0.59
13	A"	3106	2944	21.87
14	A"	1540	1460	0.50
15	A"	1393	1320	0.42
16	A"	1249	1184	0.01
17	A"	1192	1130	0.01
18	A"	1077	1021	2.46
19	A"	846	802	25.95
20	A"	746	707	5.02
21	A"	125	119	3.32

Atom	x (Å)	y (Å)	z (Å)
O1	-0.558	-1.042	0.000
O2	0.139	-0.490	1.097
O3	0.139	-0.490	-1.097
C4	0.139	0.895	0.775
C5	0.139	0.895	-0.775
H6	1.040	1.323	1.208
H7	1.040	1.323	-1.208
H8	-0.747	1.393	1.173
H9	-0.747	1.393	-1.173

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4119	1.4119	2.1998	2.1998	3.0997	3.0997	2.7101	2.7101
O2	1.4119		2.1930	1.4213	2.3279	2.0272	3.0674	2.0823	3.0791
O3	1.4119	2.1930		2.3279	1.4213	3.0674	2.0272	3.0791	2.0823
C4	2.1998	1.4213	2.3279		1.5498	1.0879	2.2201	1.0917	2.1972
C5	2.1998	2.3279	1.4213	1.5498		2.2201	1.0879	2.1972	1.0917
H6	3.0997	2.0272	3.0674	1.0879	2.2201		2.4167	1.7892	2.9783
H7	3.0997	3.0674	2.0272	2.2201	1.0879	2.4167		2.9783	1.7892
H8	2.7101	2.0823	3.0791	1.0917	2.1972	1.7892	2.9783		2.3459
H9	2.7101	3.0791	2.0823	2.1972	1.0917	2.9783	1.7892	2.3459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.870	O1	O3	C5	101.870
O2	O1	O3	101.906	O2	C4	C5	103.078
O2	C4	H6	107.028	O2	C4	H8	111.238
O3	C5	C4	103.078	O3	C5	H7	107.028
O3	C5	H9	111.238	C4	C5	H7	113.478
C4	C5	H9	111.384	C5	C4	H6	113.478
C5	C4	H8	111.384	H6	C4	H8	110.346
H7	C5	H9	110.346

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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