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	hartrees
Energy at 0K	-303.374438
Energy at 298.15K	-303.381222
HF Energy	-302.524662
Nuclear repulsion energy	195.886080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3011	1.38
2	A	3115	2932	0.60
3	A	1598	1504	0.03
4	A	1470	1384	20.60
5	A	1258	1184	3.28
6	A	1183	1113	0.05
7	A	1089	1025	37.34
8	A	1004	945	52.51
9	A	870	819	13.04
10	A	766	721	0.53
11	A	389	366	6.23
12	B	3199	3012	58.06
13	B	3112	2929	130.14
14	B	1585	1492	11.17
15	B	1403	1320	3.15
16	B	1247	1174	6.09
17	B	1176	1107	15.32
18	B	1144	1077	191.43
19	B	991	933	2.73
20	B	723	680	3.07
21	B	169	159	18.47

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.189
C2	0.000	1.123	0.321
C3	0.000	-1.123	0.321
O4	-0.386	-0.622	-0.948
O5	0.386	0.622	-0.948
H6	-0.998	1.566	0.281
H7	0.998	-1.566	0.281
H8	0.756	1.847	0.620
H9	-0.756	-1.847	0.620

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4190	1.4190	2.2593	2.2593	2.0669	2.0669	2.0752	2.0752
C2	1.4190		2.2453	2.1922	1.4180	1.0927	2.8679	1.0890	3.0788
C3	1.4190	2.2453		1.4180	2.1922	2.8679	1.0927	3.0788	1.0890
O4	2.2593	2.1922	1.4180		1.4647	2.5833	2.0775	3.1403	2.0238
O5	2.2593	1.4180	2.1922	1.4647		2.0775	2.5833	2.0238	3.1403
H6	2.0669	1.0927	2.8679	2.5833	2.0775		3.7135	1.8088	3.4378
H7	2.0669	2.8679	1.0927	2.0775	2.5833	3.7135		3.4378	1.8088
H8	2.0752	1.0890	3.0788	3.1403	2.0238	1.8088	3.4378		3.9914
H9	2.0752	3.0788	1.0890	2.0238	3.1403	3.4378	1.8088	3.9914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.000	O1	C2	H6	110.081
O1	C2	H8	110.993	O1	C3	O5	74.000
O1	C3	H7	110.081	O1	C3	H9	110.993
C2	O1	C3	104.589	C2	O4	O5	39.708
C3	O5	O4	39.708	O4	C2	H6	98.087
O4	C2	H8	144.152	O5	C3	H7	98.087
O5	C3	H9	144.152	H6	C2	H8	112.016
H7	C3	H9	112.016

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)