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	hartrees
Energy at 0K	-303.330029
Energy at 298.15K	-303.336782
HF Energy	-302.517048
Nuclear repulsion energy	195.675502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3018	0.63
2	A	3112	2932	0.41
3	A	1592	1500	0.01
4	A	1460	1375	13.42
5	A	1256	1183	2.70
6	A	1178	1110	0.01
7	A	1077	1015	32.07
8	A	995	937	63.87
9	A	840	792	9.22
10	A	754	710	0.79
11	A	392	369	6.83
12	B	3204	3019	45.59
13	B	3111	2931	108.08
14	B	1581	1490	6.06
15	B	1402	1321	2.11
16	B	1245	1173	6.52
17	B	1172	1105	12.68
18	B	1132	1067	194.70
19	B	983	926	4.64
20	B	711	670	2.79
21	B	172	162	19.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.193
C2	0.000	1.120	0.319
C3	0.000	-1.120	0.319
O4	-0.395	-0.624	-0.947
O5	0.395	0.624	-0.947
H6	-1.002	1.559	0.274
H7	1.002	-1.559	0.274
H8	0.758	1.846	0.620
H9	-0.758	-1.846	0.620

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4201	1.4201	2.2636	2.2636	2.0688	2.0688	2.0757	2.0757
C2	1.4201		2.2396	2.1908	1.4164	1.0953	2.8608	1.0919	3.0756
C3	1.4201	2.2396		1.4164	2.1908	2.8608	1.0953	3.0756	1.0919
O4	2.2636	2.1908	1.4164		1.4765	2.5738	2.0782	3.1440	2.0205
O5	2.2636	1.4164	2.1908	1.4765		2.0782	2.5738	2.0205	3.1440
H6	2.0688	1.0953	2.8608	2.5738	2.0782		3.7072	1.8169	3.4312
H7	2.0688	2.8608	1.0953	2.0782	2.5738	3.7072		3.4312	1.8169
H8	2.0757	1.0919	3.0756	3.1440	2.0205	1.8169	3.4312		3.9906
H9	2.0757	3.0756	1.0919	2.0205	3.1440	3.4312	1.8169	3.9906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.217	O1	C2	H6	109.989
O1	C2	H8	110.767	O1	C3	O5	74.217
O1	C3	H7	109.989	O1	C3	H9	110.767
C2	O1	C3	104.097	C2	O4	O5	39.757
C3	O5	O4	39.757	O4	C2	H6	97.484
O4	C2	H8	144.453	O5	C3	H7	97.484
O5	C3	H9	144.453	H6	C2	H8	112.339
H7	C3	H9	112.339

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)