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	hartrees
Energy at 0K	-303.395450
Energy at 298.15K	-303.402275
HF Energy	-302.533506
Nuclear repulsion energy	196.345509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3241	3019	0.43
2	A	3152	2936	0.46
3	A	1596	1487	0.01
4	A	1473	1373	19.74
5	A	1270	1183	5.14
6	A	1187	1106	0.15
7	A	1109	1033	45.28
8	A	1010	941	55.30
9	A	898	837	17.25
10	A	770	718	0.28
11	A	389	362	7.33
12	B	3241	3019	34.91
13	B	3150	2934	107.88
14	B	1586	1478	4.58
15	B	1415	1318	3.03
16	B	1262	1176	5.90
17	B	1180	1100	17.29
18	B	1157	1078	192.40
19	B	1015	946	3.81
20	B	733	683	3.42
21	B	175	163	22.57

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.180
C2	0.000	1.125	0.324
C3	0.000	-1.125	0.324
O4	0.362	0.619	-0.947
O5	-0.362	-0.619	-0.947
H6	0.766	1.838	0.614
H7	-0.766	-1.838	0.614
H8	-0.992	1.581	0.300
H9	0.992	-1.581	0.300

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4139	1.4139	2.2449	2.2449	2.0705	2.0705	2.0634	2.0634
C2	1.4139		2.2495	1.4144	2.1879	1.0864	3.0743	1.0918	2.8819
C3	1.4139	2.2495		2.1879	1.4144	3.0743	1.0864	2.8819	1.0918
O4	2.2449	1.4144	2.1879		1.4342	2.0217	3.1223	2.0763	2.6065
O5	2.2449	2.1879	1.4144	1.4342		3.1223	2.0217	2.6065	2.0763
H6	2.0705	1.0864	3.0743	2.0217	3.1223		3.9832	1.8037	3.4413
H7	2.0705	3.0743	1.0864	3.1223	2.0217	3.9832		3.4413	1.8037
H8	2.0634	1.0918	2.8819	2.0763	2.6065	1.8037	3.4413		3.7325
H9	2.0634	2.8819	1.0918	2.6065	2.0763	3.4413	1.8037	3.7325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	105.073	O1	C2	H6	111.126
O1	C2	H8	110.210	O1	C3	O5	105.073
O1	C3	H7	111.126	O1	C3	H9	110.210
C2	O1	C3	105.404	C2	O4	O5	100.357
C3	O5	O4	100.357	O4	C2	H6	107.156
O4	C2	H8	111.237	O5	C3	H7	107.156
O5	C3	H9	111.237	H6	C2	H8	111.802
H7	C3	H9	111.802

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)