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	hartrees
Energy at 0K	-60.183898
Energy at 298.15K	-60.190753
HF Energy	-60.183898
Nuclear repulsion energy	109.955135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3358	3015	83.75
2	A'	3286	2951	85.83
3	A'	1664	1495	1.02
4	A'	1505	1351	4.38
5	A'	1348	1211	3.60
6	A'	1209	1086	45.25
7	A'	1082	972	43.36
8	A'	1033	928	12.75
9	A'	920	826	0.60
10	A'	801	719	3.94
11	A'	424	381	4.49
12	A"	3336	2995	2.24
13	A"	3271	2937	49.11
14	A"	1642	1474	0.02
15	A"	1478	1327	0.47
16	A"	1346	1209	0.43
17	A"	1263	1134	0.48
18	A"	1197	1075	12.22
19	A"	1054	946	11.71
20	A"	811	728	9.69
21	A"	132	119	2.78

Atom	x (Å)	y (Å)	z (Å)
O1	-0.521	-1.052	0.000
O2	0.130	-0.485	1.084
O3	0.130	-0.485	-1.084
C4	0.130	0.897	0.778
C5	0.130	0.897	-0.778
H6	1.026	1.326	1.218
H7	1.026	1.326	-1.218
H8	-0.757	1.382	1.185
H9	-0.757	1.382	-1.185

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.3861	1.3861	2.1977	2.1977	3.0877	3.0877	2.7175	2.7175
O2	1.3861		2.1686	1.4155	2.3193	2.0249	3.0633	2.0692	3.0694
O3	1.3861	2.1686		2.3193	1.4155	3.0633	2.0249	3.0694	2.0692
C4	2.1977	1.4155	2.3193		1.5564	1.0868	2.2301	1.0897	2.2083
C5	2.1977	2.3193	1.4155	1.5564		2.2301	1.0868	2.2083	1.0897
H6	3.0877	2.0249	3.0633	1.0868	2.2301		2.4363	1.7850	2.9934
H7	3.0877	3.0633	2.0249	2.2301	1.0868	2.4363		2.9934	1.7850
H8	2.7175	2.0692	3.0694	1.0897	2.2083	1.7850	2.9934		2.3702
H9	2.7175	3.0694	2.0692	2.2083	1.0897	2.9934	1.7850	2.3702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.330	O1	O3	C5	103.330
O2	O1	O3	102.936	O2	C4	C5	102.489
O2	C4	H6	107.308	O2	C4	H8	110.696
O3	C5	C4	102.489	O3	C5	H7	107.308
O3	C5	H9	110.696	C4	C5	H7	113.877
C4	C5	H9	111.924	C5	C4	H6	113.877
C5	C4	H8	111.924	H6	C4	H8	110.194
H7	C5	H9	110.194

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	O	-0.055
2	O	-0.189
3	O	-0.189
4	C	-0.071
5	C	-0.071
6	H	0.154
7	H	0.154
8	H	0.133
9	H	0.133

	x	y	z	Total
	0.279	4.011	0.000	4.020
CHELPG
AIM
ESP

	x	y	z
x	3.608	0.387	0.000
y	0.387	4.446	0.000
z	0.000	0.000	5.033

<r²>	70.910
(<r²>)^1/2	8.421

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

using model chemistry: HF/CEP-31G*

States and conformations

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