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	hartrees
Energy at 0K	-303.685372
Energy at 298.15K	-303.692044
HF Energy	-302.546629
Nuclear repulsion energy	195.016219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3011	22.24
2	A'	3113	2952	48.16
3	A'	1556	1475	0.15
4	A'	1385	1313	0.09
5	A'	1280	1213	2.27
6	A'	1072	1017	35.67
7	A'	980	930	12.41
8	A'	956	906	3.94
9	A'	877	832	0.70
10	A'	734	696	1.55
11	A'	423	401	3.88
12	A"	3158	2994	1.82
13	A"	3100	2939	20.19
14	A"	1539	1459	0.71
15	A"	1390	1318	1.90
16	A"	1264	1198	0.02
17	A"	1183	1122	0.06
18	A"	1078	1022	2.93
19	A"	832	789	31.88
20	A"	753	714	4.41
21	A"	120	114	3.20

Atom	x (Å)	y (Å)	z (Å)
O1	-0.565	-1.043	0.000
O2	0.141	-0.485	1.099
O3	0.141	-0.485	-1.099
C4	0.141	0.891	0.770
C5	0.141	0.891	-0.770
H6	1.037	1.318	1.201
H7	1.037	1.318	-1.201
H8	-0.744	1.384	1.159
H9	-0.744	1.384	-1.159

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4198	1.4198	2.1977	2.1977	3.0952	3.0952	2.6953	2.6953
O2	1.4198		2.1976	1.4151	2.3205	2.0161	3.0567	2.0688	3.0619
O3	1.4198	2.1976		2.3205	1.4151	3.0567	2.0161	3.0619	2.0688
C4	2.1977	1.4151	2.3205		1.5391	1.0822	2.2064	1.0852	2.1786
C5	2.1977	2.3205	1.4151	1.5391		2.2064	1.0822	2.1786	1.0852
H6	3.0952	2.0161	3.0567	1.0822	2.2064		2.4021	1.7826	2.9575
H7	3.0952	3.0567	2.0161	2.2064	1.0822	2.4021		2.9575	1.7826
H8	2.6953	2.0688	3.0619	1.0852	2.1786	1.7826	2.9575		2.3185
H9	2.6953	3.0619	2.0688	2.1786	1.0852	2.9575	1.7826	2.3185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.650	O1	O3	C5	101.650
O2	O1	O3	101.405	O2	C4	C5	103.453
O2	C4	H6	106.909	O2	C4	H8	110.982
O3	C5	C4	103.453	O3	C5	H7	106.909
O3	C5	H9	110.982	C4	C5	H7	113.498
C4	C5	H9	111.044	C5	C4	H6	113.498
C5	C4	H8	111.044	H6	C4	H8	110.660
H7	C5	H9	110.660

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

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