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	hartrees
Energy at 0K	-303.282362
Energy at 298.15K	-303.288868
HF Energy	-302.428582
Nuclear repulsion energy	192.424019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3030	28.21
2	A'	3154	2947	38.09
3	A'	1574	1471	0.40
4	A'	1380	1290	0.34
5	A'	1267	1183	1.14
6	A'	1031	964	27.65
7	A'	973	909	10.82
8	A'	888	830	0.58
9	A'	875	818	1.70
10	A'	703	657	1.54
11	A'	407	380	4.55
12	A"	3227	3015	0.01
13	A"	3146	2940	21.55
14	A"	1557	1455	0.04
15	A"	1384	1293	0.92
16	A"	1257	1174	0.00
17	A"	1178	1100	0.04
18	A"	1056	986	1.17
19	A"	745	697	29.56
20	A"	697	652	14.51
21	A"	102	95	4.03

Atom	x (Å)	y (Å)	z (Å)
O1	-0.568	-1.049	0.000
O2	0.141	-0.489	1.108
O3	0.141	-0.489	-1.108
C4	0.141	0.897	0.776
C5	0.141	0.897	-0.776
H6	1.042	1.320	1.209
H7	1.042	1.320	-1.209
H8	-0.741	1.403	1.169
H9	-0.741	1.403	-1.169

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4296	1.4296	2.2118	2.2118	3.1095	3.1095	2.7221	2.7221
O2	1.4296		2.2160	1.4253	2.3385	2.0238	3.0749	2.0881	3.0890
O3	1.4296	2.2160		2.3385	1.4253	3.0749	2.0238	3.0890	2.0881
C4	2.2118	1.4253	2.3385		1.5512	1.0863	2.2206	1.0903	2.1945
C5	2.2118	2.3385	1.4253	1.5512		2.2206	1.0863	2.1945	1.0903
H6	3.1095	2.0238	3.0749	1.0863	2.2206		2.4183	1.7861	2.9741
H7	3.1095	3.0749	2.0238	2.2206	1.0863	2.4183		2.9741	1.7861
H8	2.7221	2.0881	3.0890	1.0903	2.1945	1.7861	2.9741		2.3384
H9	2.7221	3.0890	2.0881	2.1945	1.0903	2.9741	1.7861	2.3384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.566	O1	O3	C5	101.566
O2	O1	O3	101.620	O2	C4	C5	103.487
O2	C4	H6	106.598	O2	C4	H8	111.517
O3	C5	C4	103.487	O3	C5	H7	106.598
O3	C5	H9	111.517	C4	C5	H7	113.525
C4	C5	H9	111.164	C5	C4	H6	113.525
C5	C4	H8	111.164	H6	C4	H8	110.293
H7	C5	H9	110.293

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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