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	hartrees
Energy at 0K	-303.622369
Energy at 298.15K	-303.628891
HF Energy	-302.547216
Nuclear repulsion energy	193.287052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3041	15.51
2	A'	3106	2960	41.73
3	A'	1534	1461	0.26
4	A'	1348	1285	0.57
5	A'	1250	1191	2.26
6	A'	1014	966	28.03
7	A'	960	915	12.66
8	A'	887	846	1.82
9	A'	869	828	0.46
10	A'	703	670	1.46
11	A'	409	390	4.39
12	A"	3173	3023	0.05
13	A"	3097	2951	13.32
14	A"	1517	1446	1.86
15	A"	1363	1299	0.48
16	A"	1239	1181	0.00
17	A"	1160	1105	0.17
18	A"	1037	988	0.41
19	A"	743	708	37.37
20	A"	705	672	9.38
21	A"	105	100	3.35

Atom	x (Å)	y (Å)	z (Å)
O1	-0.561	-1.045	0.000
O2	0.139	-0.488	1.101
O3	0.139	-0.488	-1.101
C4	0.139	0.896	0.775
C5	0.139	0.896	-0.775
H6	1.042	1.319	1.207
H7	1.042	1.319	-1.207
H8	-0.746	1.394	1.170
H9	-0.746	1.394	-1.170

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4185	1.4185	2.2038	2.2038	3.1004	3.1004	2.7117	2.7117
O2	1.4185		2.2024	1.4221	2.3313	2.0229	3.0673	2.0815	3.0798
O3	1.4185	2.2024		2.3313	1.4221	3.0673	2.0229	3.0798	2.0815
C4	2.2038	1.4221	2.3313		1.5494	1.0864	2.2182	1.0901	2.1939
C5	2.2038	2.3313	1.4221	1.5494		2.2182	1.0864	2.1939	1.0901
H6	3.1004	2.0229	3.0673	1.0864	2.2182		2.4139	1.7897	2.9750
H7	3.1004	3.0673	2.0229	2.2182	1.0864	2.4139		2.9750	1.7897
H8	2.7117	2.0815	3.0798	1.0901	2.1939	1.7897	2.9750		2.3396
H9	2.7117	3.0798	2.0815	2.1939	1.0901	2.9750	1.7897	2.3396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.758	O1	O3	C5	101.758
O2	O1	O3	101.845	O2	C4	C5	103.273
O2	C4	H6	106.729	O2	C4	H8	111.214
O3	C5	C4	103.273	O3	C5	H7	106.729
O3	C5	H9	111.214	C4	C5	H7	113.443
C4	C5	H9	111.248	C5	C4	H6	113.443
C5	C4	H8	111.248	H6	C4	H8	110.624
H7	C5	H9	110.624

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

using model chemistry: MP2/aug-cc-pVTZ

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: MP2/aug-cc-pVTZ

States and conformations

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