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	hartrees
Energy at 0K	-303.296318
Energy at 298.15K	-303.302951
HF Energy	-302.439018
Nuclear repulsion energy	193.179311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3019	25.33
2	A'	3165	2945	42.23
3	A'	1578	1468	0.25
4	A'	1397	1300	0.11
5	A'	1274	1185	2.19
6	A'	1065	991	35.03
7	A'	980	912	11.87
8	A'	944	878	3.85
9	A'	887	825	0.67
10	A'	729	679	1.79
11	A'	414	386	4.37
12	A"	3228	3003	0.25
13	A"	3156	2937	19.75
14	A"	1560	1452	0.40
15	A"	1395	1298	0.72
16	A"	1262	1174	0.02
17	A"	1187	1105	0.02
18	A"	1073	999	2.13
19	A"	822	764	30.22
20	A"	746	694	4.04
21	A"	118	109	3.44

Atom	x (Å)	y (Å)	z (Å)
O1	-0.558	-1.055	0.000
O2	0.138	-0.488	1.101
O3	0.138	-0.488	-1.101
C4	0.138	0.901	0.776
C5	0.138	0.901	-0.776
H6	1.039	1.325	1.211
H7	1.039	1.325	-1.211
H8	-0.746	1.398	1.176
H9	-0.746	1.398	-1.176

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4210	1.4210	2.2164	2.2164	3.1115	3.1115	2.7267	2.7267
O2	1.4210		2.2030	1.4267	2.3356	2.0275	3.0738	2.0845	3.0866
O3	1.4210	2.2030		2.3356	1.4267	3.0738	2.0275	3.0866	2.0845
C4	2.2164	1.4267	2.3356		1.5523	1.0867	2.2230	1.0904	2.2001
C5	2.2164	2.3356	1.4267	1.5523		2.2230	1.0867	2.2001	1.0904
H6	3.1115	2.0275	3.0738	1.0867	2.2230		2.4229	1.7869	2.9820
H7	3.1115	3.0738	2.0275	2.2230	1.0867	2.4229		2.9820	1.7869
H8	2.7267	2.0845	3.0866	1.0904	2.2001	1.7869	2.9820		2.3524
H9	2.7267	3.0866	2.0845	2.2001	1.0904	2.9820	1.7869	2.3524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.210	O1	O3	C5	102.210
O2	O1	O3	101.635	O2	C4	C5	103.182
O2	C4	H6	106.764	O2	C4	H8	111.112
O3	C5	C4	103.182	O3	C5	H7	106.764
O3	C5	H9	111.112	C4	C5	H7	113.615
C4	C5	H9	111.524	C5	C4	H6	113.615
C5	C4	H8	111.524	H6	C4	H8	110.335
H7	C5	H9	110.335

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

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

States and conformations

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