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	hartrees
Energy at 0K	-303.488166
Energy at 298.15K	-303.494735
HF Energy	-302.503325
Nuclear repulsion energy	193.633041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3042	24.91
2	A'	3120	2959	41.88
3	A'	1539	1460	0.21
4	A'	1367	1297	0.01
5	A'	1267	1202	2.30
6	A'	1034	981	31.81
7	A'	967	917	8.56
8	A'	888	843	1.68
9	A'	874	829	1.60
10	A'	716	680	2.06
11	A'	418	396	4.54
12	A"	3190	3026	0.11
13	A"	3110	2951	21.48
14	A"	1523	1445	0.76
15	A"	1373	1303	0.77
16	A"	1242	1178	0.01
17	A"	1172	1112	0.06
18	A"	1062	1007	0.88
19	A"	752	713	28.38
20	A"	705	669	15.97
21	A"	117	111	4.42

Atom	x (Å)	y (Å)	z (Å)
O1	-0.564	-1.036	0.000
O2	0.140	-0.490	1.100
O3	0.140	-0.490	-1.100
C4	0.140	0.892	0.776
C5	0.140	0.892	-0.776
H6	1.046	1.315	1.210
H7	1.046	1.315	-1.210
H8	-0.748	1.394	1.171
H9	-0.748	1.394	-1.171

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4149	1.4149	2.1943	2.1943	3.0953	3.0953	2.7031	2.7031
O2	1.4149		2.1990	1.4196	2.3301	2.0228	3.0678	2.0838	3.0811
O3	1.4149	2.1990		2.3301	1.4196	3.0678	2.0228	3.0811	2.0838
C4	2.1943	1.4196	2.3301		1.5524	1.0897	2.2233	1.0937	2.1983
C5	2.1943	2.3301	1.4196	1.5524		2.2233	1.0897	2.1983	1.0937
H6	3.0953	2.0228	3.0678	1.0897	2.2233		2.4191	1.7964	2.9822
H7	3.0953	3.0678	2.0228	2.2233	1.0897	2.4191		2.9822	1.7964
H8	2.7031	2.0838	3.0811	1.0937	2.1983	1.7964	2.9822		2.3423
H9	2.7031	3.0811	2.0838	2.1983	1.0937	2.9822	1.7964	2.3423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.449	O1	O3	C5	101.449
O2	O1	O3	101.989	O2	C4	C5	103.163
O2	C4	H6	106.697	O2	C4	H8	111.350
O3	C5	C4	103.163	O3	C5	H7	106.697
O3	C5	H9	111.350	C4	C5	H7	113.431
C4	C5	H9	111.167	C5	C4	H6	113.431
C5	C4	H8	111.167	H6	C4	H8	110.718
H7	C5	H9	110.718

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

using model chemistry: MP2=FULL/6-311G**

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: MP2=FULL/6-311G**

States and conformations

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