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	hartrees
Energy at 0K	-303.506052
Energy at 298.15K	-303.512888
HF Energy	-302.599518
Nuclear repulsion energy	196.927389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3012	1.11
2	A	3071	2930	0.46
3	A	1567	1495	0.01
4	A	1473	1406	18.63
5	A	1265	1206	4.25
6	A	1178	1124	0.15
7	A	1099	1049	41.43
8	A	1010	963	50.08
9	A	886	845	15.99
10	A	773	738	0.14
11	A	399	381	6.73
12	B	3157	3012	49.48
13	B	3069	2928	136.60
14	B	1555	1483	4.85
15	B	1410	1345	2.43
16	B	1255	1197	6.60
17	B	1173	1119	18.21
18	B	1145	1093	195.12
19	B	1001	955	2.74
20	B	734	700	3.45
21	B	175	167	16.97

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.187
C2	0.000	1.117	0.319
C3	0.000	-1.117	0.319
O4	-0.378	-0.614	-0.944
O5	0.378	0.614	-0.944
H6	-1.003	1.558	0.278
H7	1.003	-1.558	0.278
H8	0.761	1.843	0.614
H9	-0.761	-1.843	0.614

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4144	1.4144	2.2492	2.2492	2.0637	2.0637	2.0747	2.0747
C2	1.4144		2.2338	2.1758	1.4106	1.0967	2.8569	1.0926	3.0705
C3	1.4144	2.2338		1.4106	2.1758	2.8569	1.0967	3.0705	1.0926
O4	2.2492	2.1758	1.4106		1.4426	2.5692	2.0713	3.1246	2.0206
O5	2.2492	1.4106	2.1758	1.4426		2.0713	2.5692	2.0206	3.1246
H6	2.0637	1.0967	2.8569	2.5692	2.0713		3.7057	1.8188	3.4259
H7	2.0637	2.8569	1.0967	2.0713	2.5692	3.7057		3.4259	1.8188
H8	2.0747	1.0926	3.0705	3.1246	2.0206	1.8188	3.4259		3.9881
H9	2.0747	3.0705	1.0926	2.0206	3.1246	3.4259	1.8188	3.9881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.200	O1	C2	H6	109.900
O1	C2	H8	111.049	O1	C3	O5	74.200
O1	C3	H7	109.900	O1	C3	H9	111.049
C2	O1	C3	104.311	C2	O4	O5	39.764
C3	O5	O4	39.764	O4	C2	H6	97.997
O4	C2	H8	143.761	O5	C3	H7	97.997
O5	C3	H9	143.761	H6	C2	H8	112.355
H7	C3	H9	112.355

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)