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	hartrees
Energy at 0K	-301.338065
Energy at 298.15K	-301.344794
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	3036	1.01
2	A	3190	2972	0.37
3	A	1651	1538	0.05
4	A	1476	1375	4.14
5	A	1264	1177	0.14
6	A	1177	1096	3.21
7	A	1073	999	16.78
8	A	986	918	6.55
9	A	919	857	42.66
10	A	745	694	0.37
11	A	344	321	6.93
12	B	3262	3039	50.74
13	B	3184	2966	77.50
14	B	1633	1521	8.68
15	B	1413	1316	2.28
16	B	1245	1160	1.77
17	B	1166	1087	17.94
18	B	1099	1024	167.25
19	B	928	864	4.16
20	B	692	645	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)