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	hartrees
Energy at 0K	-303.315086
Energy at 298.15K	-303.321665
HF Energy	-302.436401
Nuclear repulsion energy	192.308080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3040	26.28
2	A'	3137	2965	45.05
3	A'	1566	1481	0.32
4	A'	1384	1308	0.25
5	A'	1261	1192	1.84
6	A'	1035	979	28.51
7	A'	964	912	16.30
8	A'	900	851	3.60
9	A'	881	833	0.80
10	A'	707	668	1.26
11	A'	418	396	4.34
12	A"	3199	3024	0.24
13	A"	3127	2956	21.45
14	A"	1549	1465	0.24
15	A"	1380	1305	1.48
16	A"	1250	1182	0.06
17	A"	1177	1113	0.01
18	A"	1043	986	2.52
19	A"	765	723	41.08
20	A"	725	686	0.08
21	A"	123	116	3.84

Atom	x (Å)	y (Å)	z (Å)
O1	-0.564	-1.054	0.000
O2	0.140	-0.490	1.106
O3	0.140	-0.490	-1.106
C4	0.140	0.902	0.777
C5	0.140	0.902	-0.777
H6	1.043	1.325	1.214
H7	1.043	1.325	-1.214
H8	-0.746	1.401	1.177
H9	-0.746	1.401	-1.177

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4265	1.4265	2.2189	2.2189	3.1165	3.1165	2.7282	2.7282
O2	1.4265		2.2112	1.4302	2.3416	2.0304	3.0806	2.0893	3.0936
O3	1.4265	2.2112		2.3416	1.4302	3.0806	2.0304	3.0936	2.0893
C4	2.2189	1.4302	2.3416		1.5546	1.0884	2.2268	1.0923	2.2029
C5	2.2189	2.3416	1.4302	1.5546		2.2268	1.0884	2.2029	1.0923
H6	3.1165	2.0304	3.0806	1.0884	2.2268		2.4275	1.7903	2.9866
H7	3.1165	3.0806	2.0304	2.2268	1.0884	2.4275		2.9866	1.7903
H8	2.7282	2.0893	3.0936	1.0923	2.2029	1.7903	2.9866		2.3541
H9	2.7282	3.0936	2.0893	2.2029	1.0923	2.9866	1.7903	2.3541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.924	O1	O3	C5	101.924
O2	O1	O3	101.615	O2	C4	C5	103.269
O2	C4	H6	106.655	O2	C4	H8	111.138
O3	C5	C4	103.269	O3	C5	H7	106.655
O3	C5	H9	111.138	C4	C5	H7	113.639
C4	C5	H9	111.466	C5	C4	H6	113.639
C5	C4	H8	111.466	H6	C4	H8	110.366
H7	C5	H9	110.366

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

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

States and conformations

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