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	hartrees
Energy at 0K	-302.929795
Energy at 298.15K	-302.936216
HF Energy	-302.360250
Nuclear repulsion energy	187.678270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	3078	0.14
2	A	3124	2989	0.14
3	A	1575	1507	0.03
4	A	1411	1350	1.95
5	A	1190	1139	0.08
6	A	1119	1070	0.84
7	A	954	913	7.23
8	A	860	822	58.11
9	A	710	680	2.51
10	A	670	641	2.26
11	A	333	319	7.55
12	B	3219	3080	38.61
13	B	3121	2986	60.55
14	B	1565	1498	2.57
15	B	1372	1313	0.20
16	B	1178	1127	4.62
17	B	1118	1070	12.92
18	B	1004	961	170.26
19	B	838	802	4.41
20	B	634	607	3.93
21	B	155	149	30.89

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.234
C2	0.000	1.174	0.339
C3	0.000	-1.174	0.339
O4	-0.416	-0.674	-0.990
O5	0.416	0.674	-0.990
H6	-1.005	1.600	0.293
H7	1.005	-1.600	0.293
H8	0.768	1.883	0.654
H9	-0.768	-1.883	0.654

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4758	1.4758	2.3602	2.3602	2.1111	2.1111	2.1146	2.1146
C2	1.4758		2.3480	2.3139	1.4796	1.0930	2.9512	1.0916	3.1676
C3	1.4758	2.3480		1.4796	2.3139	2.9512	1.0930	3.1676	1.0916
O4	2.3602	2.3139	1.4796		1.5841	2.6767	2.1268	3.2621	2.0703
O5	2.3602	1.4796	2.3139	1.5841		2.1268	2.6767	2.0703	3.2621
H6	2.1111	1.0930	2.9512	2.6767	2.1268		3.7798	1.8319	3.5099
H7	2.1111	2.9512	1.0930	2.1268	2.6767	3.7798		3.5099	1.8319
H8	2.1146	1.0916	3.1676	3.2621	2.0703	1.8319	3.5099		4.0671
H9	2.1146	3.1676	1.0916	2.0703	3.2621	3.5099	1.8319	4.0671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.306	O1	C2	H6	109.636
O1	C2	H8	109.996	O1	C3	O5	73.306
O1	C3	H7	109.636	O1	C3	H9	109.996
C2	O1	C3	105.401	C2	O4	O5	39.284
C3	O5	O4	39.284	O4	C2	H6	96.993
O4	C2	H8	144.155	O5	C3	H7	96.993
O5	C3	H9	144.155	H6	C2	H8	113.972
H7	C3	H9	113.972

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2/6-31G

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 (trioxolane124)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)