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	hartrees
Energy at 0K	-302.594863
Energy at 298.15K	-302.601322
HF Energy	-302.594863
Nuclear repulsion energy	194.183379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	3026	11.25
2	A'	2983	2939	46.06
3	A'	1443	1422	1.04
4	A'	1280	1261	0.32
5	A'	1199	1181	1.22
6	A'	1001	986	35.09
7	A'	945	931	1.88
8	A'	905	892	1.28
9	A'	838	825	0.31
10	A'	705	695	0.64
11	A'	441	434	5.42
12	A"	3058	3012	0.04
13	A"	2975	2931	15.89
14	A"	1427	1405	2.90
15	A"	1285	1266	3.75
16	A"	1163	1145	0.05
17	A"	1112	1095	0.06
18	A"	1036	1020	0.23
19	A"	731	720	17.06
20	A"	597	588	64.02
21	A"	123	121	6.99

Atom	x (Å)	y (Å)	z (Å)
O1	-0.569	-1.032	0.000
O2	0.141	-0.489	1.093
O3	0.141	-0.489	-1.093
C4	0.141	0.889	0.773
C5	0.141	0.889	-0.773
H6	1.057	1.311	1.215
H7	1.057	1.311	-1.215
H8	-0.754	1.399	1.174
H9	-0.754	1.399	-1.174

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4115	1.4115	2.1884	2.1884	3.0995	3.0995	2.7057	2.7057
O2	1.4115		2.1856	1.4144	2.3198	2.0235	3.0669	2.0914	3.0830
O3	1.4115	2.1856		2.3198	1.4144	3.0669	2.0235	3.0830	2.0914
C4	2.1884	1.4144	2.3198		1.5469	1.1010	2.2296	1.1055	2.2032
C5	2.1884	2.3198	1.4144	1.5469		2.2296	1.1010	2.2032	1.1055
H6	3.0995	2.0235	3.0669	1.1010	2.2296		2.4301	1.8135	2.9990
H7	3.0995	3.0669	2.0235	2.2296	1.1010	2.4301		2.9990	1.8135
H8	2.7057	2.0914	3.0830	1.1055	2.2032	1.8135	2.9990		2.3478
H9	2.7057	3.0830	2.0914	2.2032	1.1055	2.9990	1.8135	2.3478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.508	O1	O3	C5	101.508
O2	O1	O3	101.469	O2	C4	C5	103.049
O2	C4	H6	106.450	O2	C4	H8	111.600
O3	C5	C4	103.049	O3	C5	H7	106.450
O3	C5	H9	111.600	C4	C5	H7	113.647
C4	C5	H9	111.239	C5	C4	H6	113.647
C5	C4	H8	111.239	H6	C4	H8	110.547
H7	C5	H9	110.547

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

using model chemistry: LSDA/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	-0.025
2	O	-0.159
3	O	-0.159
4	C	-0.217
5	C	-0.217
6	H	0.199
7	H	0.199
8	H	0.189
9	H	0.189

	x	y	z	Total
	0.394	3.608	0.000	3.629
CHELPG
AIM
ESP

	x	y	z
x	5.031	0.257	0.000
y	0.257	5.955	0.000
z	0.000	0.000	6.169

<r²>	86.329
(<r²>)^1/2	9.291

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

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

States and conformations

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