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	hartrees
Energy at 0K	-298.837523
Energy at 298.15K	-298.844069
HF Energy	-298.598244
Nuclear repulsion energy	188.869729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3511	3121	4.12
2	A'	3382	3006	3.98
3	A'	1699	1511	0.32
4	A'	1436	1277	0.23
5	A'	1289	1145	4.21
6	A'	1177	1047	4.14
7	A'	1079	959	0.02
8	A'	1045	929	0.70
9	A'	914	813	0.37
10	A'	732	651	2.18
11	A'	388	345	3.06
12	A"	3505	3116	0.62
13	A"	3378	3002	2.74
14	A"	1686	1499	0.99
15	A"	1465	1302	1.10
16	A"	1343	1193	0.05
17	A"	1222	1086	1.46
18	A"	1176	1045	10.29
19	A"	1051	934	1.17
20	A"	762	677	2.11
21	A"	167	149	1.79

Atom	x (Å)	y (Å)	z (Å)
O1	-0.548	-1.092	0.000
O2	0.136	-0.506	1.133
O3	0.136	-0.506	-1.133
C4	0.136	0.930	0.794
C5	0.136	0.930	-0.794
H6	1.051	1.383	1.230
H7	1.051	1.383	-1.230
H8	-0.763	1.456	1.191
H9	-0.763	1.456	-1.191

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4469	1.4469	2.2769	2.2769	3.1920	3.1920	2.8200	2.8200
O2	1.4469		2.2658	1.4756	2.4032	2.1010	3.1603	2.1589	3.1711
O3	1.4469	2.2658		2.4032	1.4756	3.1603	2.1010	3.1711	2.1589
C4	2.2769	1.4756	2.4032		1.5880	1.1097	2.2666	1.1142	2.2411
C5	2.2769	2.4032	1.4756	1.5880		2.2666	1.1097	2.2411	1.1142
H6	3.1920	2.1010	3.1603	1.1097	2.2666		2.4598	1.8152	3.0252
H7	3.1920	3.1603	2.1010	2.2666	1.1097	2.4598		3.0252	1.8152
H8	2.8200	2.1589	3.1711	1.1142	2.2411	1.8152	3.0252		2.3810
H9	2.8200	3.1711	2.1589	2.2411	1.1142	3.0252	1.8152	2.3810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.349	O1	O3	C5	102.349
O2	O1	O3	103.072	O2	C4	C5	103.277
O2	C4	H6	107.875	O2	C4	H8	112.187
O3	C5	C4	103.277	O3	C5	H7	107.875
O3	C5	H9	112.187	C4	C5	H7	113.127
C4	C5	H9	110.847	C5	C4	H6	113.127
C5	C4	H8	110.847	H6	C4	H8	109.413
H7	C5	H9	109.413

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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