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	hartrees
Energy at 0K	-303.474353
Energy at 298.15K	-303.481180
HF Energy	-302.592970
Nuclear repulsion energy	196.883008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3015	1.14
2	A	3061	2930	0.49
3	A	1569	1502	0.08
4	A	1464	1402	15.79
5	A	1262	1208	3.87
6	A	1178	1128	0.15
7	A	1096	1050	41.59
8	A	1008	965	54.16
9	A	884	846	16.73
10	A	773	740	0.20
11	A	402	385	7.10
12	B	3149	3014	50.57
13	B	3059	2928	134.33
14	B	1557	1491	3.10
15	B	1403	1343	2.35
16	B	1254	1201	6.52
17	B	1171	1121	15.78
18	B	1144	1095	195.45
19	B	998	955	3.01
20	B	735	703	3.34
21	B	177	169	17.99

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	-0.379	-0.614	-0.944
O5	0.379	0.614	-0.944
H6	-1.004	1.558	0.276
H7	1.004	-1.558	0.276
H8	0.762	1.843	0.614
H9	-0.762	-1.843	0.614

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4146	1.4146	2.2496	2.2496	2.0649	2.0649	2.0751	2.0751
C2	1.4146		2.2339	2.1761	1.4107	1.0974	2.8571	1.0934	3.0709
C3	1.4146	2.2339		1.4107	2.1761	2.8571	1.0974	3.0709	1.0934
O4	2.2496	2.1761	1.4107		1.4434	2.5684	2.0711	3.1255	2.0210
O5	2.2496	1.4107	2.1761	1.4434		2.0711	2.5684	2.0210	3.1255
H6	2.0649	1.0974	2.8571	2.5684	2.0711		3.7063	1.8209	3.4260
H7	2.0649	2.8571	1.0974	2.0711	2.5684	3.7063		3.4260	1.8209
H8	2.0751	1.0934	3.0709	3.1255	2.0210	1.8209	3.4260		3.9890
H9	2.0751	3.0709	1.0934	2.0210	3.1255	3.4260	1.8209	3.9890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.206	O1	C2	H6	109.933
O1	C2	H8	111.015	O1	C3	O5	74.206
O1	C3	H7	109.933	O1	C3	H9	111.015
C2	O1	C3	104.294	C2	O4	O5	39.767
C3	O5	O4	39.767	O4	C2	H6	97.908
O4	C2	H8	143.761	O5	C3	H7	97.908
O5	C3	H9	143.761	H6	C2	H8	112.437
H7	C3	H9	112.437

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)