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	hartrees
Energy at 0K	-303.429881
Energy at 298.15K	-303.436329
HF Energy	-302.467128
Nuclear repulsion energy	190.988452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3140	3022
2	A'	3060	2945
3	A'	1500	1444
4	A'	1330	1280
5	A'	1225	1179
6	A'	999	961
7	A'	937	902
8	A'	853	821
9	A'	839	807
10	A'	678	653
11	A'	407	392
12	A"	3120	3003
13	A"	3048	2934
14	A"	1481	1425
15	A"	1327	1277
16	A"	1210	1165
17	A"	1137	1094
18	A"	1004	966
19	A"	726	699
20	A"	641	617
21	A"	116	112

Atom	x (Å)	y (Å)	z (Å)
O1	-0.602	-1.052	0.000
O2	0.150	-0.494	1.125
O3	0.150	-0.494	-1.125
C4	0.150	0.904	0.781
C5	0.150	0.904	-0.781
H6	1.066	1.330	1.222
H7	1.066	1.330	-1.222
H8	-0.751	1.403	1.179
H9	-0.751	1.403	-1.179

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4638	1.4638	2.2368	2.2368	3.1539	3.1539	2.7283	2.7283
O2	1.4638		2.2503	1.4399	2.3639	2.0429	3.1098	2.1009	3.1180
O3	1.4638	2.2503		2.3639	1.4399	3.1098	2.0429	3.1180	2.1009
C4	2.2368	1.4399	2.3639		1.5618	1.1020	2.2427	1.1042	2.2143
C5	2.2368	2.3639	1.4399	1.5618		2.2427	1.1020	2.2143	1.1042
H6	3.1539	2.0429	3.1098	1.1020	2.2427		2.4430	1.8190	3.0119
H7	3.1539	3.1098	2.0429	2.2427	1.1020	2.4430		3.0119	1.8190
H8	2.7283	2.1009	3.1180	1.1042	2.2143	1.8190	3.0119		2.3588
H9	2.7283	3.1180	2.1009	2.2143	1.1042	3.0119	1.8190	2.3588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	100.763	O1	O3	C5	100.763
O2	O1	O3	100.459	O2	C4	C5	103.831
O2	C4	H6	106.202	O2	C4	H8	110.643
O3	C5	C4	103.831	O3	C5	H7	106.202
O3	C5	H9	110.643	C4	C5	H7	113.567
C4	C5	H9	111.155	C5	C4	H6	113.567
C5	C4	H8	111.155	H6	C4	H8	111.078
H7	C5	H9	111.078

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

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