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	hartrees
Energy at 0K	-302.473429
Energy at 298.15K	-302.479639
HF Energy	-302.473429
Nuclear repulsion energy	188.707213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3103	3040	15.38
2	A'	3018	2957	25.06
3	A'	1476	1446	2.69
4	A'	1291	1265	0.52
5	A'	1190	1166	1.54
6	A'	956	936	2.18
7	A'	921	902	14.75
8	A'	855	838	0.00
9	A'	814	797	0.14
10	A'	651	638	0.90
11	A'	398	390	5.66
12	A"	3085	3022	0.47
13	A"	3010	2948	16.57
14	A"	1462	1432	3.48
15	A"	1304	1278	16.45
16	A"	1178	1154	0.74
17	A"	1105	1083	0.12
18	A"	973	954	2.51
19	A"	703	688	15.13
20	A"	525	515	55.21
21	A"	79	77	7.61

Atom	x (Å)	y (Å)	z (Å)
O1	-0.563	-1.087	0.000
O2	0.140	-0.488	1.128
O3	0.140	-0.488	-1.128
C4	0.140	0.913	0.780
C5	0.140	0.913	-0.780
H6	1.049	1.347	1.218
H7	1.049	1.347	-1.218
H8	-0.754	1.429	1.168
H9	-0.754	1.429	-1.168

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4579	1.4579	2.2587	2.2587	3.1628	3.1628	2.7808	2.7808
O2	1.4579		2.2568	1.4436	2.3672	2.0494	3.1140	2.1156	3.1222
O3	1.4579	2.2568		2.3672	1.4436	3.1140	2.0494	3.1222	2.1156
C4	2.2587	1.4436	2.3672		1.5594	1.0983	2.2371	1.1030	2.2044
C5	2.2587	2.3672	1.4436	1.5594		2.2371	1.0983	2.2044	1.1030
H6	3.1628	2.0494	3.1140	1.0983	2.2371		2.4356	1.8057	2.9917
H7	3.1628	3.1140	2.0494	2.2371	1.0983	2.4356		2.9917	1.8057
H8	2.7808	2.1156	3.1222	1.1030	2.2044	1.8057	2.9917		2.3361
H9	2.7808	3.1222	2.1156	2.2044	1.1030	2.9917	1.8057	2.3361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.237	O1	O3	C5	102.237
O2	O1	O3	101.424	O2	C4	C5	103.977
O2	C4	H6	106.671	O2	C4	H8	111.655
O3	C5	C4	103.977	O3	C5	H7	106.671
O3	C5	H9	111.655	C4	C5	H7	113.507
C4	C5	H9	110.613	C5	C4	H6	113.507
C5	C4	H8	110.613	H6	C4	H8	110.224
H7	C5	H9	110.224

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	-0.077
2	O	-0.241
3	O	-0.241
4	C	-0.140
5	C	-0.140
6	H	0.218
7	H	0.218
8	H	0.201
9	H	0.201

	x	y	z	Total
	0.385	4.099	0.000	4.117
CHELPG
AIM
ESP

	x	y	z
x	3.985	0.520	0.000
y	0.520	5.090	0.000
z	0.000	0.000	5.369

<r²>	89.808
(<r²>)^1/2	9.477

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)