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	hartrees
Energy at 0K	-298.607054
Energy at 298.15K	-298.613852
HF Energy	-298.607054
Nuclear repulsion energy	193.288264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3039	0.58
2	A'	3597	2937	0.99
3	A'	1808	1476	0.16
4	A'	1582	1292	0.35
5	A'	1413	1154	9.46
6	A'	1382	1129	1.24
7	A'	1212	990	2.67
8	A'	1141	932	2.39
9	A'	977	798	0.40
10	A'	829	677	4.05
11	A'	404	330	4.04
12	A"	3717	3035	0.82
13	A"	3591	2932	0.25
14	A"	1790	1461	0.77
15	A"	1592	1300	4.29
16	A"	1491	1217	2.90
17	A"	1418	1158	2.95
18	A"	1290	1053	3.25
19	A"	1193	974	0.06
20	A"	838	685	3.06
21	A"	171	140	1.71

Atom	x (Å)	y (Å)	z (Å)
O1	-0.520	-1.087	0.000
O2	0.129	-0.503	1.107
O3	0.129	-0.503	-1.107
C4	0.129	0.924	0.784
C5	0.129	0.924	-0.784
H6	1.029	1.382	1.209
H7	1.029	1.382	-1.209
H8	-0.757	1.442	1.178
H9	-0.757	1.442	-1.178

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4096	1.4096	2.2540	2.2540	3.1559	3.1559	2.7990	2.7990
O2	1.4096		2.2132	1.4634	2.3688	2.0917	3.1191	2.1380	3.1280
O3	1.4096	2.2132		2.3688	1.4634	3.1191	2.0917	3.1280	2.1380
C4	2.2540	1.4634	2.3688		1.5677	1.0959	2.2345	1.0989	2.2136
C5	2.2540	2.3688	1.4634	1.5677		2.2345	1.0959	2.2136	1.0989
H6	3.1559	2.0917	3.1191	1.0959	2.2345		2.4190	1.7873	2.9820
H7	3.1559	3.1191	2.0917	2.2345	1.0959	2.4190		2.9820	1.7873
H8	2.7990	2.1380	3.1280	1.0989	2.2136	1.7873	2.9820		2.3555
H9	2.7990	3.1280	2.1380	2.2136	1.0989	2.9820	1.7873	2.3555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.339	O1	O3	C5	103.339
O2	O1	O3	103.449	O2	C4	C5	102.742
O2	C4	H6	108.780	O2	C4	H8	112.331
O3	C5	C4	102.742	O3	C5	H7	108.780
O3	C5	H9	112.331	C4	C5	H7	112.856
C4	C5	H9	111.007	C5	C4	H6	112.856
C5	C4	H8	111.007	H6	C4	H8	109.041
H7	C5	H9	109.041

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

using model chemistry: HF/STO-3G

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	-0.035
2	O	-0.129
3	O	-0.129
4	C	-0.015
5	C	-0.015
6	H	0.085
7	H	0.085
8	H	0.077
9	H	0.077

	x	y	z	Total
	0.180	2.922	0.000	2.928
CHELPG
AIM
ESP

	x	y	z
x	1.904	0.343	0.000
y	0.343	2.758	0.000
z	0.000	0.000	2.863

<r²>	85.807
(<r²>)^1/2	9.263

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

using model chemistry: HF/STO-3G

States and conformations

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