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	hartrees
Energy at 0K	-302.444598
Energy at 298.15K	-302.451473
HF Energy	-302.444598
Nuclear repulsion energy	197.205129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	2995	39.83
2	A'	3241	2930	56.19
3	A'	1662	1503	0.42
4	A'	1501	1357	1.28
5	A'	1356	1226	3.83
6	A'	1196	1082	45.79
7	A'	1074	971	36.30
8	A'	1031	932	10.74
9	A'	934	845	0.62
10	A'	809	732	3.07
11	A'	427	386	4.56
12	A"	3293	2977	1.26
13	A"	3227	2918	31.60
14	A"	1643	1486	0.09
15	A"	1491	1348	1.94
16	A"	1354	1224	0.04
17	A"	1273	1151	0.34
18	A"	1189	1075	11.44
19	A"	1040	940	12.41
20	A"	820	742	10.37
21	A"	130	117	3.01

Atom	x (Å)	y (Å)	z (Å)
O1	-0.517	-1.052	0.000
O2	0.129	-0.480	1.078
O3	0.129	-0.480	-1.078
C4	0.129	0.893	0.770
C5	0.129	0.893	-0.770
H6	1.020	1.319	1.207
H7	1.020	1.319	-1.207
H8	-0.755	1.372	1.175
H9	-0.755	1.372	-1.175

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.3805	1.3805	2.1892	2.1892	3.0727	3.0727	2.7039	2.7039
O2	1.3805		2.1562	1.4076	2.3027	2.0123	3.0425	2.0545	3.0474
O3	1.3805	2.1562		2.3027	1.4076	3.0425	2.0123	3.0474	2.0545
C4	2.1892	1.4076	2.3027		1.5403	1.0806	2.2107	1.0831	2.1890
C5	2.1892	2.3027	1.4076	1.5403		2.2107	1.0806	2.1890	1.0831
H6	3.0727	2.0123	3.0425	1.0806	2.2107		2.4149	1.7761	2.9712
H7	3.0727	3.0425	2.0123	2.2107	1.0806	2.4149		2.9712	1.7761
H8	2.7039	2.0545	3.0474	1.0831	2.1890	1.7761	2.9712		2.3493
H9	2.7039	3.0474	2.0545	2.1890	1.0831	2.9712	1.7761	2.3493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.476	O1	O3	C5	103.476
O2	O1	O3	102.702	O2	C4	C5	102.639
O2	C4	H6	107.219	O2	C4	H8	110.470
O3	C5	C4	102.639	O3	C5	H7	107.219
O3	C5	H9	110.470	C4	C5	H7	113.871
C4	C5	H9	111.931	C5	C4	H6	113.871
C5	C4	H8	111.931	H6	C4	H8	110.334
H7	C5	H9	110.334

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

using model chemistry: HF/6-31+G**

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	-0.000
2	O	-0.263
3	O	-0.263
4	C	-0.030
5	C	-0.030
6	H	0.153
7	H	0.153
8	H	0.139
9	H	0.139

	x	y	z	Total
	0.293	3.964	0.000	3.975
CHELPG
AIM
ESP

	x	y	z
x	4.270	0.301	0.000
y	0.301	4.930	0.000
z	0.000	0.000	5.296

<r²>	84.527
(<r²>)^1/2	9.194

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

using model chemistry: HF/6-31+G**

States and conformations

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