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	hartrees
Energy at 0K	-304.010178
Energy at 298.15K	-304.016473
HF Energy	-304.010178
Nuclear repulsion energy	187.542231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3075	3052	0.00
2	A	2998	2975	0.06
3	A	1500	1488	0.02
4	A	1348	1338	1.34
5	A	1141	1132	0.05
6	A	1070	1062	0.32
7	A	911	904	2.96
8	A	806	800	59.38
9	A	713	707	0.57
10	A	638	633	3.42
11	A	343	340	6.80
12	B	3076	3053	53.83
13	B	2993	2970	92.60
14	B	1489	1477	1.71
15	B	1308	1298	2.46
16	B	1134	1125	2.36
17	B	1065	1057	6.60
18	B	937	930	128.69
19	B	765	760	10.60
20	B	616	612	1.35
21	B	148	147	23.87

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.237
C2	0.000	1.174	0.333
C3	0.000	-1.174	0.333
O4	-0.415	-0.678	-0.987
O5	0.415	0.678	-0.987
H6	-1.008	1.614	0.301
H7	1.008	-1.614	0.301
H8	0.773	1.890	0.646
H9	-0.773	-1.890	0.646

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4813	1.4813	2.3615	2.3615	2.1208	2.1208	2.1256	2.1256
C2	1.4813		2.3474	2.3116	1.4699	1.1006	2.9644	1.0995	3.1750
C3	1.4813	2.3474		1.4699	2.3116	2.9644	1.1006	3.1750	1.0995
O4	2.3615	2.3116	1.4699		1.5897	2.6947	2.1351	3.2668	2.0648
O5	2.3615	1.4699	2.3116	1.5897		2.1351	2.6947	2.0648	3.2668
H6	2.1208	1.1006	2.9644	2.6947	2.1351		3.8057	1.8358	3.5283
H7	2.1208	2.9644	1.1006	2.1351	2.6947	3.8057		3.5283	1.8358
H8	2.1256	1.0995	3.1750	3.2668	2.0648	1.8358	3.5283		4.0837
H9	2.1256	3.1750	1.0995	2.0648	3.2668	3.5283	1.8358	4.0837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.361	O1	C2	H6	109.571
O1	C2	H8	110.023	O1	C3	O5	73.361
O1	C3	H7	109.571	O1	C3	H9	110.023
C2	O1	C3	104.816	C2	O4	O5	39.020
C3	O5	O4	39.020	O4	C2	H6	97.979
O4	C2	H8	144.138	O5	C3	H7	97.979
O5	C3	H9	144.138	H6	C2	H8	113.118
H7	C3	H9	113.118

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	-0.456
2	C	0.160
3	C	0.160
4	O	-0.264
5	O	-0.264
6	H	0.159
7	H	0.159
8	H	0.172
9	H	0.172

	x	y	z
x	3.823	0.452	0.000
y	0.452	6.387	0.000
z	0.000	0.000	4.194

<r²>	90.364
(<r²>)^1/2	9.506

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)