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	hartrees
Energy at 0K	-303.511976
Energy at 298.15K	-303.518749
HF Energy	-302.627522
Nuclear repulsion energy	196.281818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3032	0.26
2	A	3104	2942	0.34
3	A	1562	1481	0.00
4	A	1466	1390	17.62
5	A	1256	1191	4.19
6	A	1174	1112	0.05
7	A	1071	1015	33.28
8	A	981	930	69.44
9	A	843	799	12.29
10	A	756	716	0.44
11	A	398	377	8.40
12	B	3199	3032	32.15
13	B	3102	2940	112.40
14	B	1550	1470	2.14
15	B	1417	1343	1.48
16	B	1245	1180	6.30
17	B	1171	1110	12.89
18	B	1117	1059	194.63
19	B	968	918	7.08
20	B	712	675	2.73
21	B	166	157	19.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.188
C2	0.000	1.115	0.321
C3	0.000	-1.115	0.321
O4	-0.368	-0.616	-0.948
O5	0.368	0.616	-0.948
H6	-0.996	1.566	0.294
H7	0.996	-1.566	0.294
H8	0.765	1.834	0.608
H9	-0.765	-1.834	0.608

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4123	1.4123	2.2526	2.2526	2.0602	2.0602	2.0702	2.0702
C2	1.4123		2.2303	2.1773	1.4124	1.0941	2.8606	1.0886	3.0606
C3	1.4123	2.2303		1.4124	2.1773	2.8606	1.0941	3.0606	1.0886
O4	2.2526	2.1773	1.4124		1.4347	2.5878	2.0756	3.1157	2.0159
O5	2.2526	1.4124	2.1773	1.4347		2.0756	2.5878	2.0159	3.1157
H6	2.0602	1.0941	2.8606	2.5878	2.0756		3.7126	1.8092	3.4228
H7	2.0602	2.8606	1.0941	2.0756	2.5878	3.7126		3.4228	1.8092
H8	2.0702	1.0886	3.0606	3.1157	2.0159	1.8092	3.4228		3.9749
H9	2.0702	3.0606	1.0886	2.0159	3.1157	3.4228	1.8092	3.9749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.331	O1	C2	H6	109.915
O1	C2	H8	111.083	O1	C3	O5	74.331
O1	C3	H7	109.915	O1	C3	H9	111.083
C2	O1	C3	104.295	C2	O4	O5	39.739
C3	O5	O4	39.739	O4	C2	H6	99.166
O4	C2	H8	142.921	O5	C3	H7	99.166
O5	C3	H9	142.921	H6	C2	H8	111.974
H7	C3	H9	111.974

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)