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	hartrees
Energy at 0K	-303.524748
Energy at 298.15K	-303.531519
HF Energy	-302.549193
Nuclear repulsion energy	196.913934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3008	0.46
2	A	3093	2921	0.45
3	A	1558	1471	0.00
4	A	1448	1368	9.17
5	A	1253	1184	3.42
6	A	1168	1103	0.11
7	A	1084	1024	30.73
8	A	1002	947	59.14
9	A	846	799	8.34
10	A	758	716	0.56
11	A	392	370	6.13
12	B	3185	3008	34.10
13	B	3091	2919	105.76
14	B	1546	1460	3.57
15	B	1396	1318	3.08
16	B	1243	1174	5.41
17	B	1162	1098	11.41
18	B	1127	1064	181.22
19	B	986	932	4.83
20	B	715	675	2.29
21	B	168	159	15.54

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.189
C2	0.000	1.112	0.316
C3	0.000	-1.112	0.316
O4	-0.391	-0.615	-0.942
O5	0.391	0.615	-0.942
H6	-1.002	1.550	0.270
H7	1.002	-1.550	0.270
H8	0.756	1.840	0.614
H9	-0.756	-1.840	0.614

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4136	1.4136	2.2522	2.2522	2.0619	2.0619	2.0703	2.0703
C2	1.4136		2.2231	2.1716	1.4076	1.0947	2.8446	1.0911	3.0611
C3	1.4136	2.2231		1.4076	2.1716	2.8446	1.0947	3.0611	1.0911
O4	2.2522	2.1716	1.4076		1.4574	2.5556	2.0699	3.1245	2.0137
O5	2.2522	1.4076	2.1716	1.4574		2.0699	2.5556	2.0137	3.1245
H6	2.0619	1.0947	2.8446	2.5556	2.0699		3.6918	1.8143	3.4163
H7	2.0619	2.8446	1.0947	2.0699	2.5556	3.6918		3.4163	1.8143
H8	2.0703	1.0911	3.0611	3.1245	2.0137	1.8143	3.4163		3.9777
H9	2.0703	3.0611	1.0911	2.0137	3.1245	3.4163	1.8143	3.9777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.491	O1	C2	H6	109.927
O1	C2	H8	110.839	O1	C3	O5	74.491
O1	C3	H7	109.927	O1	C3	H9	110.839
C2	O1	C3	103.692	C2	O4	O5	39.866
C3	O5	O4	39.866	O4	C2	H6	97.457
O4	C2	H8	144.464	O5	C3	H7	97.457
O5	C3	H9	144.464	H6	C2	H8	112.203
H7	C3	H9	112.203

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)