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	hartrees
Energy at 0K	-303.342160
Energy at 298.15K	-303.348929
HF Energy	-302.517881
Nuclear repulsion energy	195.704839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3010	1.23
2	A	3081	2934	0.47
3	A	1586	1510	0.00
4	A	1458	1389	16.46
5	A	1253	1193	3.23
6	A	1180	1123	0.04
7	A	1087	1035	37.66
8	A	1003	955	54.83
9	A	868	826	13.49
10	A	764	728	0.62
11	A	391	373	6.54
12	B	3162	3011	53.89
13	B	3078	2931	117.65
14	B	1573	1498	7.49
15	B	1394	1327	3.45
16	B	1243	1184	5.93
17	B	1172	1116	13.64
18	B	1143	1088	190.65
19	B	990	943	2.83
20	B	722	688	3.02
21	B	169	161	19.37

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.190
C2	0.000	1.123	0.321
C3	0.000	-1.123	0.321
O4	-0.387	-0.622	-0.948
O5	0.387	0.622	-0.948
H6	-1.003	1.567	0.279
H7	1.003	-1.567	0.279
H8	0.761	1.850	0.622
H9	-0.761	-1.850	0.622

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4200	1.4200	2.2603	2.2603	2.0719	2.0719	2.0794	2.0794
C2	1.4200		2.2463	2.1925	1.4186	1.0979	2.8718	1.0944	3.0838
C3	1.4200	2.2463		1.4186	2.1925	2.8718	1.0979	3.0838	1.0944
O4	2.2603	2.1925	1.4186		1.4654	2.5845	2.0815	3.1458	2.0284
O5	2.2603	1.4186	2.1925	1.4654		2.0815	2.5845	2.0284	3.1458
H6	2.0719	1.0979	2.8718	2.5845	2.0815		3.7218	1.8189	3.4434
H7	2.0719	2.8718	1.0979	2.0815	2.5845	3.7218		3.4434	1.8189
H8	2.0794	1.0944	3.0838	3.1458	2.0284	1.8189	3.4434		4.0009
H9	2.0794	3.0838	1.0944	2.0284	3.1458	3.4434	1.8189	4.0009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.017	O1	C2	H6	110.092
O1	C2	H8	110.925	O1	C3	O5	74.017
O1	C3	H7	110.092	O1	C3	H9	110.925
C2	O1	C3	104.553	C2	O4	O5	39.726
C3	O5	O4	39.726	O4	C2	H6	97.963
O4	C2	H8	144.175	O5	C3	H7	97.963
O5	C3	H9	144.175	H6	C2	H8	112.129
H7	C3	H9	112.129

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: QCISD/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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All results from a given calculation for C2H4O3 (trioxolane124)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)