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	hartrees
Energy at 0K	-301.277466
Energy at 298.15K	-301.283859
HF Energy	-300.777300
Nuclear repulsion energy	187.693259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3063	25.84
2	A'	3186	2999	18.00
3	A'	1627	1531	0.22
4	A'	1392	1311	0.13
5	A'	1271	1197	1.18
6	A'	1022	962	12.09
7	A'	958	901	2.65
8	A'	928	874	12.52
9	A'	904	851	0.50
10	A'	674	634	1.62
11	A'	351	330	5.39
12	A"	3232	3042	0.06
13	A"	3174	2987	22.13
14	A"	1609	1514	0.25
15	A"	1412	1329	15.71
16	A"	1309	1232	0.69
17	A"	1168	1100	0.00
18	A"	1031	971	15.53
19	A"	908	855	4.26
20	A"	725	683	7.96
21	A"	32	30	3.13

Atom	x (Å)	y (Å)	z (Å)
O1	-0.559	-1.112	0.000
O2	0.139	-0.488	1.141
O3	0.139	-0.488	-1.141
C4	0.139	0.927	0.787
C5	0.139	0.927	-0.787
H6	1.036	1.363	1.215
H7	1.036	1.363	-1.215
H8	-0.746	1.429	1.173
H9	-0.746	1.429	-1.173

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4757	1.4757	2.2946	2.2946	3.1859	3.1859	2.8056	2.8056
O2	1.4757		2.2812	1.4591	2.3911	2.0590	3.1277	2.1125	3.1329
O3	1.4757	2.2812		2.3911	1.4591	3.1277	2.0590	3.1329	2.1125
C4	2.2946	1.4591	2.3911		1.5731	1.0858	2.2363	1.0887	2.2083
C5	2.2946	2.3911	1.4591	1.5731		2.2363	1.0858	2.2083	1.0887
H6	3.1859	2.0590	3.1277	1.0858	2.2363		2.4297	1.7842	2.9807
H7	3.1859	3.1277	2.0590	2.2363	1.0858	2.4297		2.9807	1.7842
H8	2.8056	2.1125	3.1329	1.0887	2.2083	1.7842	2.9807		2.3464
H9	2.8056	3.1329	2.1125	2.2083	1.0887	2.9807	1.7842	2.3464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.857	O1	O3	C5	102.857
O2	O1	O3	101.232	O2	C4	C5	104.043
O2	C4	H6	107.099	O2	C4	H8	111.190
O3	C5	C4	104.043	O3	C5	H7	107.099
O3	C5	H9	111.190	C4	C5	H7	113.232
C4	C5	H9	110.801	C5	C4	H6	113.232
C5	C4	H8	110.801	H6	C4	H8	110.269
H7	C5	H9	110.269

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

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

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