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	hartrees
Energy at 0K	-303.209905
Energy at 298.15K	-303.216810
HF Energy	-302.522610
Nuclear repulsion energy	198.013412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3032	1.49
2	A	3192	2955	0.70
3	A	1644	1522	0.04
4	A	1525	1411	23.61
5	A	1307	1210	4.58
6	A	1230	1138	1.47
7	A	1169	1082	48.38
8	A	1060	981	38.94
9	A	974	901	34.74
10	A	804	744	0.19
11	A	394	364	6.62
12	B	3276	3032	56.48
13	B	3188	2951	121.89
14	B	1631	1510	9.76
15	B	1454	1346	4.17
16	B	1299	1203	6.55
17	B	1222	1132	22.09
18	B	1208	1119	212.64
19	B	1055	977	3.92
20	B	764	707	3.61
21	B	179	166	20.68

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.175
C2	0.000	1.116	0.320
C3	0.000	-1.116	0.320
O4	-0.365	-0.613	-0.940
O5	0.365	0.613	-0.940
H6	-0.992	1.563	0.287
H7	0.992	-1.563	0.287
H8	0.759	1.833	0.615
H9	-0.759	-1.833	0.615

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4055	1.4055	2.2318	2.2318	2.0533	2.0533	2.0617	2.0617
C2	1.4055		2.2321	2.1706	1.4053	1.0888	2.8574	1.0852	3.0598
C3	1.4055	2.2321		1.4053	2.1706	2.8574	1.0888	3.0598	1.0852
O4	2.2318	2.1706	1.4053		1.4273	2.5761	2.0621	3.1092	2.0155
O5	2.2318	1.4053	2.1706	1.4273		2.0621	2.5761	2.0155	3.1092
H6	2.0533	1.0888	2.8574	2.5761	2.0621		3.7033	1.8020	3.4204
H7	2.0533	2.8574	1.0888	2.0621	2.5761	3.7033		3.4204	1.8020
H8	2.0617	1.0852	3.0598	3.1092	2.0155	1.8020	3.4204		3.9686
H9	2.0617	3.0598	1.0852	2.0155	3.1092	3.4204	1.8020	3.9686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.763	O1	C2	H6	110.158
O1	C2	H8	111.087	O1	C3	O5	73.763
O1	C3	H7	110.158	O1	C3	H9	111.087
C2	O1	C3	105.132	C2	O4	O5	39.604
C3	O5	O4	39.604	O4	C2	H6	98.995
O4	C2	H8	143.317	O5	C3	H7	98.995
O5	C3	H9	143.317	H6	C2	H8	111.967
H7	C3	H9	111.967

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)