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	hartrees
Energy at 0K	-303.300619
Energy at 298.15K	-303.307248
HF Energy	-302.438625
Nuclear repulsion energy	193.038099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3041	25.64
2	A'	3148	2966	43.33
3	A'	1575	1484	0.27
4	A'	1396	1315	0.16
5	A'	1270	1197	2.17
6	A'	1063	1001	34.18
7	A'	979	922	12.90
8	A'	934	880	4.15
9	A'	885	834	0.70
10	A'	726	684	1.69
11	A'	414	391	4.37
12	A"	3210	3025	0.27
13	A"	3138	2957	20.16
14	A"	1557	1467	0.40
15	A"	1395	1314	0.60
16	A"	1260	1187	0.01
17	A"	1185	1117	0.04
18	A"	1070	1009	2.20
19	A"	822	775	30.47
20	A"	743	700	4.52
21	A"	119	112	3.39

Atom	x (Å)	y (Å)	z (Å)
O1	-0.559	-1.055	0.000
O2	0.139	-0.489	1.102
O3	0.139	-0.489	-1.102
C4	0.139	0.901	0.776
C5	0.139	0.901	-0.776
H6	1.041	1.325	1.212
H7	1.041	1.325	-1.212
H8	-0.746	1.399	1.177
H9	-0.746	1.399	-1.177

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4216	1.4216	2.2166	2.2166	3.1129	3.1129	2.7274	2.7274
O2	1.4216		2.2038	1.4275	2.3363	2.0287	3.0754	2.0860	3.0885
O3	1.4216	2.2038		2.3363	1.4275	3.0754	2.0287	3.0885	2.0860
C4	2.2166	1.4275	2.3363		1.5522	1.0878	2.2240	1.0916	2.2013
C5	2.2166	2.3363	1.4275	1.5522		2.2240	1.0878	2.2013	1.0916
H6	3.1129	2.0287	3.0754	1.0878	2.2240		2.4243	1.7887	2.9843
H7	3.1129	3.0754	2.0287	2.2240	1.0878	2.4243		2.9843	1.7887
H8	2.7274	2.0860	3.0885	1.0916	2.2013	1.7887	2.9843		2.3541
H9	2.7274	3.0885	2.0860	2.2013	1.0916	2.9843	1.7887	2.3541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.157	O1	O3	C5	102.157
O2	O1	O3	101.631	O2	C4	C5	103.193
O2	C4	H6	106.745	O2	C4	H8	111.103
O3	C5	C4	103.193	O3	C5	H7	106.745
O3	C5	H9	111.103	C4	C5	H7	113.630
C4	C5	H9	111.550	C5	C4	H6	113.630
C5	C4	H8	111.550	H6	C4	H8	110.312
H7	C5	H9	110.312

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

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

States and conformations

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