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	hartrees
Energy at 0K	-302.655611
Energy at 298.15K	-302.662611
HF Energy	-302.655611
Nuclear repulsion energy	200.281105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3274	2968	2.12
2	A	3197	2897	1.73
3	A	1682	1525	0.08
4	A	1580	1432	24.87
5	A	1351	1224	3.71
6	A	1285	1165	22.23
7	A	1238	1122	39.42
8	A	1096	994	15.58
9	A	1047	949	76.24
10	A	841	763	0.01
11	A	380	345	6.13
12	B	3274	2968	64.18
13	B	3193	2894	166.41
14	B	1670	1514	6.30
15	B	1511	1370	7.07
16	B	1346	1220	4.70
17	B	1272	1153	40.73
18	B	1244	1128	231.79
19	B	1096	993	4.38
20	B	803	728	3.44
21	B	185	167	19.94

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.157
C2	0.000	1.112	0.321
C3	0.000	-1.112	0.321
O4	0.333	0.609	-0.933
O5	-0.333	-0.609	-0.933
H6	0.762	1.819	0.610
H7	-0.762	-1.819	0.610
H8	-0.982	1.567	0.304
H9	0.982	-1.567	0.304

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.3912	1.3912	2.2022	2.2022	2.0465	2.0465	2.0364	2.0364
C2	1.3912		2.2239	1.3916	2.1553	1.0789	3.0422	1.0825	2.8533
C3	1.3912	2.2239		2.1553	1.3916	3.0422	1.0789	2.8533	1.0825
O4	2.2022	1.3916	2.1553		1.3884	2.0075	3.0784	2.0442	2.5860
O5	2.2022	2.1553	1.3916	1.3884		3.0784	2.0075	2.5860	2.0442
H6	2.0465	1.0789	3.0422	2.0075	3.0784		3.9443	1.7883	3.4070
H7	2.0465	3.0422	1.0789	3.0784	2.0075	3.9443		3.4070	1.7883
H8	2.0364	1.0825	2.8533	2.0442	2.5860	1.7883	3.4070		3.6986
H9	2.0364	2.8533	1.0825	2.5860	2.0442	3.4070	1.7883	3.6986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	104.633	O1	C2	H6	111.267
O1	C2	H8	110.195	O1	C3	O5	104.633
O1	C3	H7	111.267	O1	C3	H9	110.195
C2	O1	C3	106.129	C2	O4	O5	101.664
C3	O5	O4	101.664	O4	C2	H6	108.032
O4	C2	H8	110.813	O5	C3	H7	108.032
O5	C3	H9	110.813	H6	C2	H8	111.662
H7	C3	H9	111.662

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: HF/Def2TZVPP

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	-0.428
2	C	0.338
3	C	0.338
4	O	-0.227
5	O	-0.227
6	H	0.061
7	H	0.061
8	H	0.042
9	H	0.042

	x	y	z
x	4.174	0.224	0.000
y	0.224	5.829	0.000
z	0.000	0.000	4.210

<r²>	81.692
(<r²>)^1/2	9.038

All results from a given calculation for C2H4O3 (trioxolane124)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)