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	hartrees
Energy at 0K	-298.863071
Energy at 298.15K	-298.869521
HF Energy	-298.631684
Nuclear repulsion energy	189.982935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3447	3064	0.06
2	A	3316	2947	0.01
3	A	1699	1510	0.10
4	A	1517	1349	2.52
5	A	1300	1155	3.88
6	A	1245	1106	2.82
7	A	1150	1022	0.13
8	A	1062	944	0.45
9	A	1023	909	6.46
10	A	760	676	0.13
11	A	330	294	2.99
12	B	3449	3066	12.27
13	B	3313	2945	28.10
14	B	1687	1499	11.97
15	B	1421	1263	0.03
16	B	1298	1154	5.93
17	B	1207	1073	40.58
18	B	1157	1029	17.73
19	B	1072	953	2.44
20	B	724	643	5.05
21	B	115	102	10.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.259
C2	0.000	1.145	0.333
C3	0.000	-1.145	0.333
O4	-0.370	-0.626	-0.999
O5	0.370	0.626	-0.999
H6	-1.013	1.628	0.320
H7	1.013	-1.628	0.320
H8	0.770	1.895	0.637
H9	-0.770	-1.895	0.637

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4725	1.4725	2.3715	2.3715	2.1350	2.1350	2.1381	2.1381
C2	1.4725		2.2908	2.2470	1.4765	1.1225	2.9529	1.1167	3.1513
C3	1.4725	2.2908		1.4765	2.2470	2.9529	1.1225	3.1513	1.1167
O4	2.3715	2.2470	1.4765		1.4542	2.6899	2.1577	3.2141	2.1084
O5	2.3715	1.4765	2.2470	1.4542		2.1577	2.6899	2.1084	3.2141
H6	2.1350	1.1225	2.9529	2.6899	2.1577		3.8354	1.8305	3.5460
H7	2.1350	2.9529	1.1225	2.1577	2.6899	3.8354		3.5460	1.8305
H8	2.1381	1.1167	3.1513	3.2141	2.1084	1.8305	3.5460		4.0913
H9	2.1381	3.1513	1.1167	2.1084	3.2141	3.5460	1.8305	4.0913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	76.068	O1	C2	H6	109.989
O1	C2	H8	110.585	O1	C3	O5	76.068
O1	C3	H7	109.989	O1	C3	H9	110.585
C2	O1	C3	102.129	C2	O4	O5	40.308
C3	O5	O4	40.308	O4	C2	H6	100.586
O4	C2	H8	143.507	O5	C3	H7	100.586
O5	C3	H9	143.507	H6	C2	H8	109.669
H7	C3	H9	109.669

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)