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	hartrees
Energy at 0K	-303.330146
Energy at 298.15K	-303.337105
HF Energy	-302.596954
Nuclear repulsion energy	199.229807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3269	3037	1.54
2	A	3179	2954	0.75
3	A	1632	1516	0.00
4	A	1532	1423	23.86
5	A	1319	1225	5.17
6	A	1233	1145	4.02
7	A	1186	1102	48.27
8	A	1070	994	33.27
9	A	1000	929	46.12
10	A	814	757	0.01
11	A	402	373	7.21
12	B	3269	3037	54.56
13	B	3176	2951	139.94
14	B	1620	1505	4.41
15	B	1464	1360	2.97
16	B	1313	1220	7.09
17	B	1226	1139	38.20
18	B	1213	1127	207.78
19	B	1068	992	3.70
20	B	778	723	4.22
21	B	185	171	19.58

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.171
C2	0.000	1.110	0.318
C3	0.000	-1.110	0.318
O4	-0.356	-0.606	-0.936
O5	0.356	0.606	-0.936
H6	-0.992	1.555	0.286
H7	0.992	-1.555	0.286
H8	0.760	1.826	0.608
H9	-0.760	-1.826	0.608

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.3996	1.3996	2.2204	2.2204	2.0462	2.0462	2.0567	2.0567
C2	1.3996		2.2202	2.1548	1.3977	1.0880	2.8443	1.0838	3.0470
C3	1.3996	2.2202		1.3977	2.1548	2.8443	1.0880	3.0470	1.0838
O4	2.2204	2.1548	1.3977		1.4053	2.5625	2.0521	3.0893	2.0089
O5	2.2204	1.3977	2.1548	1.4053		2.0521	2.5625	2.0089	3.0893
H6	2.0462	1.0880	2.8443	2.5625	2.0521		3.6897	1.8021	3.4050
H7	2.0462	2.8443	1.0880	2.0521	2.5625	3.6897		3.4050	1.8021
H8	2.0567	1.0838	3.0470	3.0893	2.0089	1.8021	3.4050		3.9564
H9	2.0567	3.0470	1.0838	2.0089	3.0893	3.4050	1.8021	3.9564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.908	O1	C2	H6	110.052
O1	C2	H8	111.186	O1	C3	O5	73.908
O1	C3	H7	110.052	O1	C3	H9	111.186
C2	O1	C3	104.964	C2	O4	O5	39.629
C3	O5	O4	39.629	O4	C2	H6	99.074
O4	C2	H8	142.908	O5	C3	H7	99.074
O5	C3	H9	142.908	H6	C2	H8	112.153
H7	C3	H9	112.153

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CID/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)