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	hartrees
Energy at 0K	-303.381507
Energy at 298.15K	-303.388132
HF Energy	-302.473656
Nuclear repulsion energy	192.864801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3058	25.82
2	A'	3091	2981	46.85
3	A'	1523	1469	0.16
4	A'	1361	1313	0.02
5	A'	1248	1204	2.75
6	A'	1047	1009	31.85
7	A'	966	932	14.52
8	A'	930	897	3.56
9	A'	866	835	0.56
10	A'	721	695	1.74
11	A'	414	399	4.00
12	A"	3151	3039	0.44
13	A"	3079	2970	18.46
14	A"	1504	1451	0.68
15	A"	1358	1310	0.54
16	A"	1234	1191	0.00
17	A"	1160	1118	0.13
18	A"	1049	1012	1.79
19	A"	811	782	28.85
20	A"	738	712	3.96
21	A"	126	121	2.80

Atom	x (Å)	y (Å)	z (Å)
O1	-0.560	-1.049	0.000
O2	0.139	-0.493	1.100
O3	0.139	-0.493	-1.100
C4	0.139	0.900	0.780
C5	0.139	0.900	-0.780
H6	1.052	1.330	1.217
H7	1.052	1.330	-1.217
H8	-0.756	1.402	1.185
H9	-0.756	1.402	-1.185

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4167	1.4167	2.2123	2.2123	3.1201	3.1201	2.7291	2.7291
O2	1.4167		2.1999	1.4294	2.3395	2.0416	3.0862	2.0973	3.1001
O3	1.4167	2.1999		2.3395	1.4294	3.0862	2.0416	3.1001	2.0973
C4	2.2123	1.4294	2.3395		1.5592	1.0996	2.2372	1.1032	2.2161
C5	2.2123	2.3395	1.4294	1.5592		2.2372	1.0996	2.2161	1.1032
H6	3.1201	2.0416	3.0862	1.0996	2.2372		2.4347	1.8096	3.0071
H7	3.1201	3.0862	2.0416	2.2372	1.0996	2.4347		3.0071	1.8096
H8	2.7291	2.0973	3.1001	1.1032	2.2161	1.8096	3.0071		2.3691
H9	2.7291	3.1001	2.0973	2.2161	1.1032	3.0071	1.8096	2.3691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.029	O1	O3	C5	102.029
O2	O1	O3	101.873	O2	C4	C5	102.952
O2	C4	H6	106.941	O2	C4	H8	111.161
O3	C5	C4	102.952	O3	C5	H7	106.941
O3	C5	H9	111.161	C4	C5	H7	113.462
C4	C5	H9	111.534	C5	C4	H6	113.462
C5	C4	H8	111.534	H6	C4	H8	110.471
H7	C5	H9	110.471

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

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

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