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	hartrees
Energy at 0K	-301.396101
Energy at 298.15K	-301.402660
HF Energy	-300.847069
Nuclear repulsion energy	188.667514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3052	0.93
2	A	3130	2978	0.23
3	A	1622	1543	0.03
4	A	1433	1363	2.70
5	A	1222	1162	0.53
6	A	1132	1077	2.28
7	A	987	939	7.39
8	A	906	862	30.37
9	A	827	786	14.08
10	A	696	662	0.55
11	A	344	327	6.79
12	B	3211	3055	53.65
13	B	3127	2974	78.51
14	B	1604	1526	7.89
15	B	1377	1310	0.38
16	B	1201	1142	3.43
17	B	1128	1073	13.77
18	B	1026	976	158.11
19	B	856	815	1.36
20	B	644	613	4.48
21	B	172	164	23.13

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.243
C2	0.000	1.159	0.335
C3	0.000	-1.159	0.335
O4	-0.432	-0.646	-0.987
O5	0.432	0.646	-0.987
H6	-1.002	1.585	0.271
H7	1.002	-1.585	0.271
H8	0.755	1.879	0.645
H9	-0.755	-1.879	0.645

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4730	1.4730	2.3620	2.3620	2.1115	2.1115	2.1120	2.1120
C2	1.4730		2.3186	2.2790	1.4821	1.0899	2.9216	1.0888	3.1465
C3	1.4730	2.3186		1.4821	2.2790	2.9216	1.0899	3.1465	1.0888
O4	2.3620	2.2790	1.4821		1.5552	2.6239	2.1260	3.2332	2.0709
O5	2.3620	1.4821	2.2790	1.5552		2.1260	2.6239	2.0709	3.2332
H6	2.1115	1.0899	2.9216	2.6239	2.1260		3.7490	1.8201	3.4928
H7	2.1115	2.9216	1.0899	2.1260	2.6239	3.7490		3.4928	1.8201
H8	2.1120	1.0888	3.1465	3.2332	2.0709	1.8201	3.4928		4.0510
H9	2.1120	3.1465	1.0888	2.0709	3.2332	3.4928	1.8201	4.0510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.586	O1	C2	H6	110.047
O1	C2	H8	110.161	O1	C3	O5	74.586
O1	C3	H7	110.047	O1	C3	H9	110.161
C2	O1	C3	103.817	C2	O4	O5	40.180
C3	O5	O4	40.180	O4	C2	H6	95.812
O4	C2	H8	145.183	O5	C3	H7	95.812
O5	C3	H9	145.183	H6	C2	H8	113.320
H7	C3	H9	113.320

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)