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	hartrees
Energy at 0K	-302.579679
Energy at 298.15K	-302.586137
HF Energy	-302.579679
Nuclear repulsion energy	194.368223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3068	3011	16.12
2	A'	2977	2921	45.36
3	A'	1453	1426	0.49
4	A'	1284	1260	0.16
5	A'	1205	1182	0.54
6	A'	1013	994	35.82
7	A'	946	928	1.50
8	A'	915	897	0.61
9	A'	839	823	0.46
10	A'	707	694	0.91
11	A'	438	429	5.06
12	A"	3054	2997	0.14
13	A"	2968	2912	20.89
14	A"	1435	1409	0.81
15	A"	1287	1263	5.21
16	A"	1166	1145	0.01
17	A"	1117	1097	0.00
18	A"	1044	1025	0.62
19	A"	734	720	15.33
20	A"	605	594	56.53
21	A"	118	116	6.60

Atom	x (Å)	y (Å)	z (Å)
O1	-0.572	-1.026	0.000
O2	0.142	-0.491	1.094
O3	0.142	-0.491	-1.094
C4	0.142	0.885	0.773
C5	0.142	0.885	-0.773
H6	1.057	1.310	1.214
H7	1.057	1.310	-1.214
H8	-0.751	1.405	1.168
H9	-0.751	1.405	-1.168

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4115	1.4115	2.1819	2.1819	3.0959	3.0959	2.7032	2.7032
O2	1.4115		2.1872	1.4126	2.3191	2.0233	3.0668	2.0968	3.0830
O3	1.4115	2.1872		2.3191	1.4126	3.0668	2.0233	3.0830	2.0968
C4	2.1819	1.4126	2.3191		1.5467	1.1009	2.2289	1.1056	2.1988
C5	2.1819	2.3191	1.4126	1.5467		2.2289	1.1009	2.1988	1.1056
H6	3.0959	2.0233	3.0668	1.1009	2.2289		2.4286	1.8103	2.9916
H7	3.0959	3.0668	2.0233	2.2289	1.1009	2.4286		2.9916	1.8103
H8	2.7032	2.0968	3.0830	1.1056	2.1988	1.8103	2.9916		2.3357
H9	2.7032	3.0830	2.0968	2.1988	1.1056	2.9916	1.8103	2.3357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.173	O1	O3	C5	101.173
O2	O1	O3	101.570	O2	C4	C5	103.103
O2	C4	H6	106.558	O2	C4	H8	112.167
O3	C5	C4	103.103	O3	C5	H7	106.558
O3	C5	H9	112.167	C4	C5	H7	113.613
C4	C5	H9	110.904	C5	C4	H6	113.613
C5	C4	H8	110.904	H6	C4	H8	110.261
H7	C5	H9	110.261

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

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

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	-0.070
2	O	-0.220
3	O	-0.220
4	C	-0.062
5	C	-0.062
6	H	0.167
7	H	0.167
8	H	0.151
9	H	0.151

	x	y	z	Total
	0.366	3.269	0.000	3.290
CHELPG
AIM
ESP

	x	y	z
x	4.201	0.338	0.000
y	0.338	5.041	0.000
z	0.000	0.000	5.243

<r²>	85.666
(<r²>)^1/2	9.256

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

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

States and conformations

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