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	hartrees
Energy at 0K	-302.790479
Energy at 298.15K	-302.796867
HF Energy	-302.290603
Nuclear repulsion energy	188.113279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3046	24.26
2	A'	3183	2977	18.77
3	A'	1609	1505	0.31
4	A'	1408	1316	0.06
5	A'	1266	1184	0.75
6	A'	1031	964	10.85
7	A'	945	884	24.77
8	A'	907	848	0.55
9	A'	878	821	2.79
10	A'	688	643	2.22
11	A'	346	324	5.76
12	A"	3237	3027	0.15
13	A"	3172	2966	18.23
14	A"	1595	1492	1.01
15	A"	1421	1329	9.42
16	A"	1296	1212	0.37
17	A"	1182	1105	0.07
18	A"	1012	947	6.97
19	A"	798	747	14.82
20	A"	731	684	5.58
21	A"	55	52	3.38

Atom	x (Å)	y (Å)	z (Å)
O1	-0.535	-1.121	0.000
O2	0.133	-0.485	1.129
O3	0.133	-0.485	-1.129
C4	0.133	0.930	0.784
C5	0.133	0.930	-0.784
H6	1.028	1.365	1.223
H7	1.028	1.365	-1.223
H8	-0.756	1.423	1.179
H9	-0.756	1.423	-1.179

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4579	1.4579	2.2946	2.2946	3.1810	3.1810	2.8126	2.8126
O2	1.4579		2.2590	1.4566	2.3803	2.0579	3.1245	2.1061	3.1248
O3	1.4579	2.2590		2.3803	1.4566	3.1245	2.0579	3.1248	2.1061
C4	2.2946	1.4566	2.3803		1.5689	1.0877	2.2409	1.0907	2.2114
C5	2.2946	2.3803	1.4566	1.5689		2.2409	1.0877	2.2114	1.0907
H6	3.1810	2.0579	3.1245	1.0877	2.2409		2.4468	1.7851	2.9930
H7	3.1810	3.1245	2.0579	2.2409	1.0877	2.4468		2.9930	1.7851
H8	2.8126	2.1061	3.1248	1.0907	2.2114	1.7851	2.9930		2.3587
H9	2.8126	3.1248	2.1061	2.2114	1.0907	2.9930	1.7851	2.3587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.872	O1	O3	C5	103.872
O2	O1	O3	101.565	O2	C4	C5	103.703
O2	C4	H6	107.072	O2	C4	H8	110.723
O3	C5	C4	103.703	O3	C5	H7	107.072
O3	C5	H9	110.723	C4	C5	H7	113.802
C4	C5	H9	111.228	C5	C4	H6	113.802
C5	C4	H8	111.228	H6	C4	H8	110.060
H7	C5	H9	110.060

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

using model chemistry: CID/6-31G

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: CID/6-31G

States and conformations

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