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	hartrees
Energy at 0K	-301.404911
Energy at 298.15K	-301.411483
HF Energy	-300.847119
Nuclear repulsion energy	188.692323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3209	3064	0.95
2	A	3129	2988	0.21
3	A	1621	1548	0.02
4	A	1434	1369	2.69
5	A	1222	1167	0.53
6	A	1132	1081	2.29
7	A	987	942	7.30
8	A	906	865	30.53
9	A	826	789	14.03
10	A	697	665	0.55
11	A	345	329	6.80
12	B	3212	3066	52.25
13	B	3126	2985	79.40
14	B	1604	1531	7.85
15	B	1378	1316	0.37
16	B	1201	1146	3.43
17	B	1129	1078	13.78
18	B	1026	980	158.22
19	B	856	818	1.37
20	B	644	615	4.52
21	B	174	166	23.15

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.243
C2	0.000	1.159	0.335
C3	0.000	-1.159	0.335
O4	-0.433	-0.646	-0.987
O5	0.433	0.646	-0.987
H6	-1.002	1.585	0.271
H7	1.002	-1.585	0.271
H8	0.755	1.879	0.645
H9	-0.755	-1.879	0.645

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4726	1.4726	2.3609	2.3609	2.1117	2.1117	2.1118	2.1118
C2	1.4726		2.3189	2.2788	1.4821	1.0900	2.9219	1.0885	3.1466
C3	1.4726	2.3189		1.4821	2.2788	2.9219	1.0900	3.1466	1.0885
O4	2.3609	2.2788	1.4821		1.5552	2.6231	2.1259	3.2329	2.0706
O5	2.3609	1.4821	2.2788	1.5552		2.1259	2.6231	2.0706	3.2329
H6	2.1117	1.0900	2.9219	2.6231	2.1259		3.7494	1.8201	3.4931
H7	2.1117	2.9219	1.0900	2.1259	2.6231	3.7494		3.4931	1.8201
H8	2.1118	1.0885	3.1466	3.2329	2.0706	1.8201	3.4931		4.0509
H9	2.1118	3.1466	1.0885	2.0706	3.2329	3.4931	1.8201	4.0509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.555	O1	C2	H6	110.083
O1	C2	H8	110.180	O1	C3	O5	74.555
O1	C3	H7	110.083	O1	C3	H9	110.180
C2	O1	C3	103.870	C2	O4	O5	40.186
C3	O5	O4	40.186	O4	C2	H6	95.772
O4	C2	H8	145.202	O5	C3	H7	95.772
O5	C3	H9	145.202	H6	C2	H8	113.330
H7	C3	H9	113.330

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)