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	hartrees
Energy at 0K	-301.338065
Energy at 298.15K	-301.344785
HF Energy	-300.854230
Nuclear repulsion energy	191.201275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3259	3033	1.01
2	A	3190	2968	0.37
3	A	1651	1536	0.05
4	A	1476	1373	4.14
5	A	1264	1176	0.14
6	A	1177	1095	3.21
7	A	1073	998	16.78
8	A	986	917	6.55
9	A	919	856	42.66
10	A	745	693	0.37
11	A	344	320	6.93
12	B	3262	3035	50.74
13	B	3184	2962	77.50
14	B	1633	1519	8.68
15	B	1413	1315	2.28
16	B	1245	1159	1.77
17	B	1166	1085	17.94
18	B	1099	1023	167.25
19	B	928	863	4.16
20	B	692	644	5.76
21	B	179	166	26.83

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.217
C2	0.000	1.156	0.335
C3	0.000	-1.156	0.335
O4	-0.398	-0.640	-0.976
O5	0.398	0.640	-0.976
H6	-0.993	1.591	0.288
H7	0.993	-1.591	0.288
H8	0.761	1.865	0.639
H9	-0.761	-1.865	0.639

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4540	1.4540	2.3190	2.3190	2.0934	2.0934	2.0958	2.0958
C2	1.4540		2.3117	2.2589	1.4639	1.0852	2.9215	1.0839	3.1302
C3	1.4540	2.3117		1.4639	2.2589	2.9215	1.0852	3.1302	1.0839
O4	2.3190	2.2589	1.4639		1.5074	2.6326	2.1061	3.1981	2.0593
O5	2.3190	1.4639	2.2589	1.5074		2.1061	2.6326	2.0593	3.1981
H6	2.0934	1.0852	2.9215	2.6326	2.1061		3.7514	1.8096	3.4821
H7	2.0934	2.9215	1.0852	2.1061	2.6326	3.7514		3.4821	1.8096
H8	2.0958	1.0839	3.1302	3.1981	2.0593	1.8096	3.4821		4.0290
H9	2.0958	3.1302	1.0839	2.0593	3.1981	3.4821	1.8096	4.0290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.743	O1	C2	H6	110.218
O1	C2	H8	110.495	O1	C3	O5	73.743
O1	C3	H7	110.218	O1	C3	H9	110.495
C2	O1	C3	105.302	C2	O4	O5	39.803
C3	O5	O4	39.803	O4	C2	H6	97.626
O4	C2	H8	143.772	O5	C3	H7	97.626
O5	C3	H9	143.772	H6	C2	H8	113.081
H7	C3	H9	113.081

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CID/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 (trioxolane124)

using model chemistry: CID/3-21G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)