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	hartrees
Energy at 0K	-304.102474
Energy at 298.15K	-304.108990
HF Energy	-304.102474
Nuclear repulsion energy	192.992479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3020	2995	0.64
2	A	2943	2920	0.49
3	A	1510	1498	0.00
4	A	1388	1377	13.50
5	A	1180	1171	1.70
6	A	1113	1104	0.55
7	A	982	974	12.01
8	A	903	895	74.28
9	A	763	757	2.70
10	A	697	692	3.20
11	A	368	365	5.61
12	B	3019	2994	62.65
13	B	2940	2916	161.54
14	B	1497	1485	6.78
15	B	1330	1319	2.99
16	B	1173	1164	5.11
17	B	1105	1096	9.48
18	B	1030	1021	159.48
19	B	869	862	10.40
20	B	669	664	0.95
21	B	156	154	14.15

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.197
C2	0.000	1.132	0.329
C3	0.000	-1.132	0.329
O4	0.356	0.636	-0.963
O5	-0.356	-0.636	-0.963
H6	0.778	1.858	0.615
H7	-0.778	-1.858	0.615
H8	-1.003	1.605	0.323
H9	1.003	-1.605	0.323

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4264	1.4264	2.2789	2.2789	2.0971	2.0971	2.0844	2.0844
C2	1.4264		2.2644	1.4290	2.2183	1.1021	3.1034	1.1088	2.9148
C3	1.4264	2.2644		2.2183	1.4290	3.1034	1.1021	2.9148	1.1088
O4	2.2789	1.4290	2.2183		1.4573	2.0402	3.1617	2.1067	2.6626
O5	2.2789	2.2183	1.4290	1.4573		3.1617	2.0402	2.6626	2.1067
H6	2.0971	1.1021	3.1034	2.0402	3.1617		4.0296	1.8227	3.4827
H7	2.0971	3.1034	1.1021	3.1617	2.0402	4.0296		3.4827	1.8227
H8	2.0844	1.1088	2.9148	2.1067	2.6626	1.8227	3.4827		3.7847
H9	2.0844	2.9148	1.1088	2.6626	2.1067	3.4827	1.8227	3.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	105.904	O1	C2	H6	111.427
O1	C2	H8	109.985	O1	C3	O5	105.904
O1	C3	H7	111.427	O1	C3	H9	109.985
C2	O1	C3	105.077	C2	O4	O5	100.447
C3	O5	O4	100.447	O4	C2	H6	106.709
O4	C2	H8	111.605	O5	C3	H7	106.709
O5	C3	H9	111.605	H6	C2	H8	111.065
H7	C3	H9	111.065

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: BLYP/6-31G*

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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Number	Element	Mulliken
1	O	-0.443
2	C	0.194
3	C	0.194
4	O	-0.259
5	O	-0.259
6	H	0.151
7	H	0.151
8	H	0.135
9	H	0.135

	x	y	z
x	4.074	0.305	0.000
y	0.305	6.209	0.000
z	0.000	0.000	4.055

<r²>	86.118
(<r²>)^1/2	9.280

All results from a given calculation for C2H4O3 (trioxolane124)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)