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	hartrees
Energy at 0K	-302.439275
Energy at 298.15K	-302.445911
HF Energy	-302.439275
Nuclear repulsion energy	193.345904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3025	25.00
2	A'	3167	2951	42.13
3	A'	1579	1471	0.24
4	A'	1399	1304	0.10
5	A'	1277	1190	2.17
6	A'	1067	994	35.30
7	A'	981	914	11.67
8	A'	944	880	3.80
9	A'	888	827	0.67
10	A'	730	681	1.77
11	A'	415	387	4.37
12	A"	3231	3010	0.23
13	A"	3159	2943	19.61
14	A"	1562	1456	0.45
15	A"	1398	1303	0.77
16	A"	1265	1179	0.02
17	A"	1189	1107	0.02
18	A"	1076	1002	2.12
19	A"	822	766	30.41
20	A"	748	696	3.86
21	A"	117	109	3.45

Atom	x (Å)	y (Å)	z (Å)
O1	-0.559	-1.054	0.000
O2	0.139	-0.488	1.100
O3	0.139	-0.488	-1.100
C4	0.139	0.900	0.775
C5	0.139	0.900	-0.775
H6	1.039	1.323	1.210
H7	1.039	1.323	-1.210
H8	-0.745	1.396	1.175
H9	-0.745	1.396	-1.175

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4203	1.4203	2.2144	2.2144	3.1089	3.1089	2.7235	2.7235
O2	1.4203		2.2009	1.4254	2.3333	2.0255	3.0705	2.0824	3.0834
O3	1.4203	2.2009		2.3333	1.4254	3.0705	2.0255	3.0834	2.0824
C4	2.2144	1.4254	2.3333		1.5506	1.0855	2.2204	1.0892	2.1977
C5	2.2144	2.3333	1.4254	1.5506		2.2204	1.0855	2.1977	1.0892
H6	3.1089	2.0255	3.0705	1.0855	2.2204		2.4197	1.7854	2.9787
H7	3.1089	3.0705	2.0255	2.2204	1.0855	2.4197		2.9787	1.7854
H8	2.7235	2.0824	3.0834	1.0892	2.1977	1.7854	2.9787		2.3496
H9	2.7235	3.0834	2.0824	2.1977	1.0892	2.9787	1.7854	2.3496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.186	O1	O3	C5	102.186
O2	O1	O3	101.578	O2	C4	C5	103.187
O2	C4	H6	106.765	O2	C4	H8	111.105
O3	C5	C4	103.187	O3	C5	H7	106.765
O3	C5	H9	111.105	C4	C5	H7	113.596
C4	C5	H9	111.515	C5	C4	H6	113.596
C5	C4	H8	111.515	H6	C4	H8	110.362
H7	C5	H9	110.362

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)

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 (1,2,3-trioxolane)

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

States and conformations

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)