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	hartrees
Energy at 0K	-302.895840
Energy at 298.15K	-302.901957
HF Energy	-302.278594
Nuclear repulsion energy	184.337377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3027	28.25
2	A'	3070	2958	20.84
3	A'	1554	1497	0.28
4	A'	1346	1297	0.03
5	A'	1211	1167	1.12
6	A'	969	934	2.34
7	A'	875	844	0.39
8	A'	863	832	19.92
9	A'	749	722	1.14
10	A'	616	593	1.35
11	A'	345	332	5.07
12	A"	3122	3008	0.21
13	A"	3060	2949	19.76
14	A"	1541	1485	0.63
15	A"	1357	1308	9.86
16	A"	1243	1198	0.58
17	A"	1125	1084	0.11
18	A"	924	890	6.86
19	A"	687	662	16.41
20	A"	615	593	7.37
21	A"	52	50	3.69

Atom	x (Å)	y (Å)	z (Å)
O1	-0.550	-1.117	0.000
O2	0.137	-0.490	1.139
O3	0.137	-0.490	-1.139
C4	0.137	0.931	0.789
C5	0.137	0.931	-0.789
H6	1.039	1.367	1.230
H7	1.039	1.367	-1.230
H8	-0.756	1.432	1.185
H9	-0.756	1.432	-1.185

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4708	1.4708	2.3000	2.3000	3.1952	3.1952	2.8190	2.8190
O2	1.4708		2.2790	1.4637	2.3959	2.0667	3.1430	2.1202	3.1461
O3	1.4708	2.2790		2.3959	1.4637	3.1430	2.0667	3.1461	2.1202
C4	2.3000	1.4637	2.3959		1.5786	1.0944	2.2544	1.0980	2.2244
C5	2.3000	2.3959	1.4637	1.5786		2.2544	1.0944	2.2244	1.0980
H6	3.1952	2.0667	3.1430	1.0944	2.2544		2.4605	1.7966	3.0101
H7	3.1952	3.1430	2.0667	2.2544	1.0944	2.4605		3.0101	1.7966
H8	2.8190	2.1202	3.1461	1.0980	2.2244	1.7966	3.0101		2.3706
H9	2.8190	3.1461	2.1202	2.2244	1.0980	3.0101	1.7966	2.3706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.214	O1	O3	C5	103.214
O2	O1	O3	101.560	O2	C4	C5	103.841
O2	C4	H6	106.892	O2	C4	H8	110.908
O3	C5	C4	103.841	O3	C5	H7	106.892
O3	C5	H9	110.908	C4	C5	H7	113.759
C4	C5	H9	111.139	C5	C4	H6	113.759
C5	C4	H8	111.139	H6	C4	H8	110.061
H7	C5	H9	110.061

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

using model chemistry: QCISD/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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All results from a given calculation for C2H4O3 (1,2,3-trioxolane)

using model chemistry: QCISD/6-31G

States and conformations

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