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	hartrees
Energy at 0K	-303.461553
Energy at 298.15K	-303.468180
HF Energy	-302.536076
Nuclear repulsion energy	193.355095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3040	28.70
2	A'	3104	2965	46.40
3	A'	1551	1482	0.25
4	A'	1388	1326	0.43
5	A'	1270	1214	1.36
6	A'	1037	991	32.13
7	A'	962	919	13.74
8	A'	921	880	4.31
9	A'	879	840	1.09
10	A'	716	684	1.93
11	A'	423	404	4.34
12	A"	3165	3024	0.58
13	A"	3094	2956	23.34
14	A"	1533	1464	0.28
15	A"	1380	1318	1.06
16	A"	1237	1182	0.00
17	A"	1185	1132	0.00
18	A"	1050	1003	2.69
19	A"	787	751	35.31
20	A"	734	701	1.34
21	A"	127	122	3.77

Atom	x (Å)	y (Å)	z (Å)
O1	-0.563	-1.042	0.000
O2	0.140	-0.491	1.101
O3	0.140	-0.491	-1.101
C4	0.140	0.896	0.776
C5	0.140	0.896	-0.776
H6	1.042	1.323	1.210
H7	1.042	1.323	-1.210
H8	-0.747	1.396	1.173
H9	-0.747	1.396	-1.173

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4175	1.4175	2.2024	2.2024	3.1037	3.1037	2.7115	2.7115
O2	1.4175		2.2014	1.4242	2.3337	2.0288	3.0731	2.0863	3.0848
O3	1.4175	2.2014		2.3337	1.4242	3.0731	2.0288	3.0848	2.0863
C4	2.2024	1.4242	2.3337		1.5525	1.0885	2.2231	1.0925	2.1989
C5	2.2024	2.3337	1.4242	1.5525		2.2231	1.0885	2.1989	1.0925
H6	3.1037	2.0288	3.0731	1.0885	2.2231		2.4202	1.7908	2.9805
H7	3.1037	3.0731	2.0288	2.2231	1.0885	2.4202		2.9805	1.7908
H8	2.7115	2.0863	3.0848	1.0925	2.1989	1.7908	2.9805		2.3456
H9	2.7115	3.0848	2.0863	2.1989	1.0925	2.9805	1.7908	2.3456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.617	O1	O3	C5	101.617
O2	O1	O3	101.886	O2	C4	C5	103.167
O2	C4	H6	106.930	O2	C4	H8	111.305
O3	C5	C4	103.167	O3	C5	H7	106.930
O3	C5	H9	111.305	C4	C5	H7	113.488
C4	C5	H9	111.283	C5	C4	H6	113.488
C5	C4	H8	111.283	H6	C4	H8	110.386
H7	C5	H9	110.386

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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