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	hartrees
Energy at 0K	-303.443336
Energy at 298.15K	-303.449891
HF Energy	-302.456042
Nuclear repulsion energy	193.724116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3036	17.94
2	A'	3127	2953	32.58
3	A'	1539	1454	0.19
4	A'	1359	1284	0.03
5	A'	1261	1191	1.51
6	A'	1030	973	30.81
7	A'	972	918	7.54
8	A'	892	843	0.87
9	A'	872	824	0.73
10	A'	715	675	1.47
11	A'	417	394	4.23
12	A"	3197	3020	0.01
13	A"	3119	2946	17.49
14	A"	1523	1439	0.28
15	A"	1371	1295	1.18
16	A"	1244	1175	0.00
17	A"	1173	1108	0.08
18	A"	1055	996	0.98
19	A"	748	706	27.75
20	A"	702	663	13.75
21	A"	118	111	3.51

Atom	x (Å)	y (Å)	z (Å)
O1	-0.570	-1.032	0.000
O2	0.141	-0.491	1.097
O3	0.141	-0.491	-1.097
C4	0.141	0.891	0.776
C5	0.141	0.891	-0.776
H6	1.046	1.314	1.210
H7	1.046	1.314	-1.210
H8	-0.743	1.396	1.172
H9	-0.743	1.396	-1.172

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4153	1.4153	2.1930	2.1930	3.0955	3.0955	2.7019	2.7019
O2	1.4153		2.1943	1.4195	2.3282	2.0223	3.0661	2.0857	3.0811
O3	1.4153	2.1943		2.3282	1.4195	3.0661	2.0223	3.0811	2.0857
C4	2.1930	1.4195	2.3282		1.5519	1.0891	2.2231	1.0928	2.1980
C5	2.1930	2.3282	1.4195	1.5519		2.2231	1.0891	2.1980	1.0928
H6	3.0955	2.0223	3.0661	1.0891	2.2231		2.4202	1.7922	2.9806
H7	3.0955	3.0661	2.0223	2.2231	1.0891	2.4202		2.9806	1.7922
H8	2.7019	2.0857	3.0811	1.0928	2.1980	1.7922	2.9806		2.3437
H9	2.7019	3.0811	2.0857	2.1980	1.0928	2.9806	1.7922	2.3437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.357	O1	O3	C5	101.357
O2	O1	O3	101.655	O2	C4	C5	103.079
O2	C4	H6	106.706	O2	C4	H8	111.582
O3	C5	C4	103.079	O3	C5	H7	106.706
O3	C5	H9	111.582	C4	C5	H7	113.494
C4	C5	H9	111.241	C5	C4	H6	113.494
C5	C4	H8	111.241	H6	C4	H8	110.450
H7	C5	H9	110.450

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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