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	hartrees
Energy at 0K	-304.133716
Energy at 298.15K	-304.140206
HF Energy	-304.133716
Nuclear repulsion energy	192.876782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3018	33.14
2	A'	3045	2939	52.49
3	A'	1522	1468	0.39
4	A'	1338	1292	0.10
5	A'	1238	1195	1.26
6	A'	989	954	31.80
7	A'	941	908	9.69
8	A'	915	883	0.37
9	A'	854	824	0.59
10	A'	698	674	1.42
11	A'	405	391	3.87
12	A"	3110	3001	1.13
13	A"	3034	2928	29.96
14	A"	1506	1454	0.00
15	A"	1346	1299	1.53
16	A"	1225	1182	0.00
17	A"	1155	1114	0.02
18	A"	1016	981	1.78
19	A"	738	712	25.59
20	A"	679	655	21.95
21	A"	116	112	3.91

Atom	x (Å)	y (Å)	z (Å)
O1	-0.556	-1.050	0.000
O2	0.138	-0.489	1.106
O3	0.138	-0.489	-1.106
C4	0.138	0.897	0.779
C5	0.138	0.897	-0.779
H6	1.043	1.323	1.217
H7	1.043	1.323	-1.217
H8	-0.749	1.407	1.175
H9	-0.749	1.407	-1.175

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4212	1.4212	2.2096	2.2096	3.1099	3.1099	2.7298	2.7298
O2	1.4212		2.2122	1.4247	2.3404	2.0289	3.0823	2.0940	3.0953
O3	1.4212	2.2122		2.3404	1.4247	3.0823	2.0289	3.0953	2.0940
C4	2.2096	1.4247	2.3404		1.5585	1.0916	2.2327	1.0960	2.2050
C5	2.2096	2.3404	1.4247	1.5585		2.2327	1.0916	2.2050	1.0960
H6	3.1099	2.0289	3.0823	1.0916	2.2327		2.4339	1.7937	2.9891
H7	3.1099	3.0823	2.0289	2.2327	1.0916	2.4339		2.9891	1.7937
H8	2.7298	2.0940	3.0953	1.0960	2.2050	1.7937	2.9891		2.3491
H9	2.7298	3.0953	2.0940	2.2050	1.0960	2.9891	1.7937	2.3491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.865	O1	O3	C5	101.865
O2	O1	O3	102.204	O2	C4	C5	103.263
O2	C4	H6	106.724	O2	C4	H8	111.674
O3	C5	C4	103.263	O3	C5	H7	106.724
O3	C5	H9	111.674	C4	C5	H7	113.641
C4	C5	H9	111.141	C5	C4	H6	113.641
C5	C4	H8	111.141	H6	C4	H8	110.154
H7	C5	H9	110.154

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

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

States and conformations

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