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	hartrees
Energy at 0K	-303.263987
Energy at 298.15K	-303.270547
HF Energy	-302.423062
Nuclear repulsion energy	192.364827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3021	32.16
2	A'	3098	2951	38.26
3	A'	1567	1493	0.20
4	A'	1381	1315	0.57
5	A'	1266	1206	0.90
6	A'	1042	993	30.97
7	A'	971	924	13.00
8	A'	906	863	2.87
9	A'	884	842	0.76
10	A'	711	677	1.35
11	A'	416	397	4.47
12	A"	3155	3005	0.28
13	A"	3088	2941	25.12
14	A"	1550	1476	0.02
15	A"	1376	1311	3.94
16	A"	1254	1194	0.06
17	A"	1180	1124	0.00
18	A"	1052	1002	3.04
19	A"	769	733	37.51
20	A"	730	695	0.01
21	A"	117	111	3.68

Atom	x (Å)	y (Å)	z (Å)
O1	-0.566	-1.050	0.000
O2	0.140	-0.491	1.106
O3	0.140	-0.491	-1.106
C4	0.140	0.899	0.778
C5	0.140	0.899	-0.778
H6	1.047	1.325	1.218
H7	1.047	1.325	-1.218
H8	-0.748	1.405	1.179
H9	-0.748	1.405	-1.179

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4264	1.4264	2.2143	2.2143	3.1185	3.1185	2.7288	2.7288
O2	1.4264		2.2121	1.4287	2.3416	2.0333	3.0855	2.0949	3.0991
O3	1.4264	2.2121		2.3416	1.4287	3.0855	2.0333	3.0991	2.0949
C4	2.2143	1.4287	2.3416		1.5559	1.0939	2.2328	1.0977	2.2075
C5	2.2143	2.3416	1.4287	1.5559		2.2328	1.0939	2.2075	1.0977
H6	3.1185	2.0333	3.0855	1.0939	2.2328		2.4351	1.7969	2.9950
H7	3.1185	3.0855	2.0333	2.2328	1.0939	2.4351		2.9950	1.7969
H8	2.7288	2.0949	3.0991	1.0977	2.2075	1.7969	2.9950		2.3577
H9	2.7288	3.0991	2.0949	2.2075	1.0977	2.9950	1.7969	2.3577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.710	O1	O3	C5	101.710
O2	O1	O3	101.686	O2	C4	C5	103.275
O2	C4	H6	106.662	O2	C4	H8	111.363
O3	C5	C4	103.275	O3	C5	H7	106.662
O3	C5	H9	111.363	C4	C5	H7	113.694
C4	C5	H9	111.421	C5	C4	H6	113.694
C5	C4	H8	111.421	H6	C4	H8	110.150
H7	C5	H9	110.150

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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