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	hartrees
Energy at 0K	-303.854581
Energy at 298.15K	-303.861132
HF Energy	-302.567713
Nuclear repulsion energy	194.306108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3069	13.82
2	A'	3121	2985	40.98
3	A'	1539	1472	0.34
4	A'	1354	1295	0.70
5	A'	1257	1202	2.23
6	A'	1025	980	30.00
7	A'	970	928	11.56
8	A'	899	860	2.03
9	A'	874	836	0.37
10	A'	712	681	1.37
11	A'	414	396	4.43
12	A"	3191	3052	0.05
13	A"	3113	2977	12.58
14	A"	1522	1456	2.26
15	A"	1370	1310	0.74
16	A"	1244	1190	0.00
17	A"	1166	1116	0.14
18	A"	1049	1004	0.47
19	A"	751	718	37.65
20	A"	715	683	8.97
21	A"	109	104	3.37

Atom	x (Å)	y (Å)	z (Å)
O1	-0.559	-1.040	0.000
O2	0.139	-0.487	1.096
O3	0.139	-0.487	-1.096
C4	0.139	0.892	0.771
C5	0.139	0.892	-0.771
H6	1.038	1.313	1.202
H7	1.038	1.313	-1.202
H8	-0.744	1.388	1.164
H9	-0.744	1.388	-1.164

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4122	1.4122	2.1942	2.1942	3.0879	3.0879	2.6996	2.6996
O2	1.4122		2.1914	1.4162	2.3204	2.0149	3.0540	2.0734	3.0662
O3	1.4122	2.1914		2.3204	1.4162	3.0540	2.0149	3.0662	2.0734
C4	2.1942	1.4162	2.3204		1.5417	1.0827	2.2086	1.0864	2.1841
C5	2.1942	2.3204	1.4162	1.5417		2.2086	1.0827	2.1841	1.0864
H6	3.0879	2.0149	3.0540	1.0827	2.2086		2.4035	1.7840	2.9630
H7	3.0879	3.0540	2.0149	2.2086	1.0827	2.4035		2.9630	1.7840
H8	2.6996	2.0734	3.0662	1.0864	2.1841	1.7840	2.9630		2.3285
H9	2.6996	3.0662	2.0734	2.1841	1.0864	2.9630	1.7840	2.3285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.753	O1	O3	C5	101.753
O2	O1	O3	101.768	O2	C4	C5	103.260
O2	C4	H6	106.714	O2	C4	H8	111.207
O3	C5	C4	103.260	O3	C5	H7	106.714
O3	C5	H9	111.207	C4	C5	H7	113.452
C4	C5	H9	111.231	C5	C4	H6	113.452
C5	C4	H8	111.231	H6	C4	H8	110.664
H7	C5	H9	110.664

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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=FULL/aug-cc-pVQZ

States and conformations

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