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	hartrees
Energy at 0K	-303.457495
Energy at 298.15K	-303.464056
HF Energy	-302.497013
Nuclear repulsion energy	193.614624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3038	26.09
2	A'	3119	2954	41.56
3	A'	1556	1473	0.54
4	A'	1374	1302	0.06
5	A'	1274	1206	1.87
6	A'	1030	976	31.75
7	A'	970	919	9.19
8	A'	890	843	1.66
9	A'	879	832	1.38
10	A'	717	679	1.89
11	A'	419	397	4.95
12	A"	3190	3022	0.06
13	A"	3110	2945	21.84
14	A"	1540	1458	1.23
15	A"	1376	1304	1.79
16	A"	1253	1187	0.04
17	A"	1180	1117	0.09
18	A"	1059	1003	0.77
19	A"	753	713	29.70
20	A"	706	669	15.41
21	A"	116	109	4.54

Atom	x (Å)	y (Å)	z (Å)
O1	-0.564	-1.036	0.000
O2	0.140	-0.490	1.099
O3	0.140	-0.490	-1.099
C4	0.140	0.893	0.776
C5	0.140	0.893	-0.776
H6	1.045	1.313	1.214
H7	1.045	1.313	-1.214
H8	-0.749	1.389	1.176
H9	-0.749	1.389	-1.176

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4150	1.4150	2.1951	2.1951	3.0952	3.0952	2.7014	2.7014
O2	1.4150		2.1986	1.4199	2.3302	2.0204	3.0695	2.0798	3.0815
O3	1.4150	2.1986		2.3302	1.4199	3.0695	2.0204	3.0815	2.0798
C4	2.1951	1.4199	2.3302		1.5526	1.0895	2.2266	1.0934	2.2015
C5	2.1951	2.3302	1.4199	1.5526		2.2266	1.0895	2.2015	1.0934
H6	3.0952	2.0204	3.0695	1.0895	2.2266		2.4286	1.7954	2.9890
H7	3.0952	3.0695	2.0204	2.2266	1.0895	2.4286		2.9890	1.7954
H8	2.7014	2.0798	3.0815	1.0934	2.2015	1.7954	2.9890		2.3515
H9	2.7014	3.0815	2.0798	2.2015	1.0934	2.9890	1.7954	2.3515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.489	O1	O3	C5	101.489
O2	O1	O3	101.952	O2	C4	C5	103.148
O2	C4	H6	106.508	O2	C4	H8	111.031
O3	C5	C4	103.148	O3	C5	H7	106.508
O3	C5	H9	111.031	C4	C5	H7	113.705
C4	C5	H9	111.428	C5	C4	H6	113.705
C5	C4	H8	111.428	H6	C4	H8	110.670
H7	C5	H9	110.670

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)