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	hartrees
Energy at 0K	-300.930472
Energy at 298.15K	-300.936766
HF Energy	-300.930472
Nuclear repulsion energy	188.357085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	3030	16.14
2	A'	2997	2948	27.40
3	A'	1489	1465	2.24
4	A'	1276	1255	0.58
5	A'	1184	1165	2.70
6	A'	941	925	9.57
7	A'	915	900	1.48
8	A'	889	874	2.79
9	A'	855	841	0.16
10	A'	639	628	0.88
11	A'	394	388	5.86
12	A"	3061	3010	0.08
13	A"	2987	2938	20.66
14	A"	1470	1446	2.57
15	A"	1293	1272	23.12
16	A"	1186	1166	1.22
17	A"	1086	1068	0.08
18	A"	962	947	3.95
19	A"	704	693	56.15
20	A"	677	666	13.33
21	A"	70	68	6.11

Atom	x (Å)	y (Å)	z (Å)
O1	-0.582	-1.082	0.000
O2	0.144	-0.491	1.140
O3	0.144	-0.491	-1.140
C4	0.144	0.912	0.783
C5	0.144	0.912	-0.783
H6	1.057	1.347	1.211
H7	1.057	1.347	-1.211
H8	-0.748	1.438	1.162
H9	-0.748	1.438	-1.162

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4746	1.4746	2.2610	2.2610	3.1704	3.1704	2.7798	2.7798
O2	1.4746		2.2795	1.4476	2.3798	2.0539	3.1209	2.1258	3.1332
O3	1.4746	2.2795		2.3798	1.4476	3.1209	2.0539	3.1332	2.1258
C4	2.2610	1.4476	2.3798		1.5653	1.0985	2.2357	1.1032	2.2034
C5	2.2610	2.3798	1.4476	1.5653		2.2357	1.0985	2.2034	1.1032
H6	3.1704	2.0539	3.1209	1.0985	2.2357		2.4224	1.8079	2.9831
H7	3.1704	3.1209	2.0539	2.2357	1.0985	2.4224		2.9831	1.8079
H8	2.7798	2.1258	3.1332	1.1032	2.2034	1.8079	2.9831		2.3242
H9	2.7798	3.1332	2.1258	2.2034	1.1032	2.9831	1.8079	2.3242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.380	O1	O3	C5	101.380
O2	O1	O3	101.240	O2	C4	C5	104.283
O2	C4	H6	106.743	O2	C4	H8	112.188
O3	C5	C4	104.283	O3	C5	H7	106.743
O3	C5	H9	112.188	C4	C5	H7	112.962
C4	C5	H9	110.118	C5	C4	H6	112.962
C5	C4	H8	110.118	H6	C4	H8	110.396
H7	C5	H9	110.396

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

using model chemistry: LSDA/3-21G

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	-0.054
2	O	-0.222
3	O	-0.222
4	C	-0.243
5	C	-0.243
6	H	0.255
7	H	0.255
8	H	0.237
9	H	0.237

	x	y	z	Total
	0.360	3.555	0.000	3.573
CHELPG
AIM
ESP

	x	y	z
x	3.749	0.465	0.000
y	0.465	4.656	0.000
z	0.000	0.000	4.990

<r²>	89.562
(<r²>)^1/2	9.464

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

using model chemistry: LSDA/3-21G

States and conformations

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