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	hartrees
Energy at 0K	-303.246188
Energy at 298.15K	-303.252797
HF Energy	-302.425534
Nuclear repulsion energy	193.155949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3011	28.29
2	A'	3133	2940	33.99
3	A'	1581	1484	0.14
4	A'	1395	1309	0.24
5	A'	1279	1200	1.07
6	A'	1070	1005	35.01
7	A'	985	924	10.29
8	A'	946	888	3.58
9	A'	891	836	0.59
10	A'	731	687	1.62
11	A'	412	387	4.54
12	A"	3192	2996	0.19
13	A"	3124	2932	21.53
14	A"	1563	1467	0.12
15	A"	1392	1306	2.47
16	A"	1266	1188	0.01
17	A"	1192	1119	0.03
18	A"	1080	1013	2.48
19	A"	823	772	28.15
20	A"	749	703	4.21
21	A"	111	104	3.36

Atom	x (Å)	y (Å)	z (Å)
O1	-0.560	-1.052	0.000
O2	0.139	-0.489	1.102
O3	0.139	-0.489	-1.102
C4	0.139	0.899	0.777
C5	0.139	0.899	-0.777
H6	1.044	1.325	1.215
H7	1.044	1.325	-1.215
H8	-0.748	1.401	1.178
H9	-0.748	1.401	-1.178

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4213	1.4213	2.2130	2.2130	3.1140	3.1140	2.7278	2.7278
O2	1.4213		2.2043	1.4258	2.3361	2.0303	3.0789	2.0895	3.0920
O3	1.4213	2.2043		2.3361	1.4258	3.0789	2.0303	3.0920	2.0895
C4	2.2130	1.4258	2.3361		1.5535	1.0917	2.2288	1.0953	2.2047
C5	2.2130	2.3361	1.4258	1.5535		2.2288	1.0917	2.2047	1.0953
H6	3.1140	2.0303	3.0789	1.0917	2.2288		2.4304	1.7933	2.9905
H7	3.1140	3.0789	2.0303	2.2288	1.0917	2.4304		2.9905	1.7933
H8	2.7278	2.0895	3.0920	1.0953	2.2047	1.7933	2.9905		2.3565
H9	2.7278	3.0920	2.0895	2.2047	1.0953	2.9905	1.7933	2.3565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.024	O1	O3	C5	102.024
O2	O1	O3	101.697	O2	C4	C5	103.192
O2	C4	H6	106.749	O2	C4	H8	111.276
O3	C5	C4	103.192	O3	C5	H7	106.749
O3	C5	H9	111.276	C4	C5	H7	113.677
C4	C5	H9	111.503	C5	C4	H6	113.677
C5	C4	H8	111.503	H6	C4	H8	110.159
H7	C5	H9	110.159

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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