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	hartrees
Energy at 0K	-303.991526
Energy at 298.15K	-303.998112
HF Energy	-303.991526
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3052	2992	0.94
2	A	2970	2912	0.63
3	A	1524	1494	0.00
4	A	1406	1378	15.01
5	A	1200	1176	2.43
6	A	1130	1108	0.56
7	A	1004	985	13.73
8	A	931	913	78.97
9	A	780	765	3.88
10	A	718	704	2.90
11	A	378	370	5.86
12	B	3051	2992	71.22
13	B	2966	2908	177.65
14	B	1511	1481	7.02
15	B	1345	1319	3.80
16	B	1193	1169	5.27
17	B	1122	1100	10.45
18	B	1059	1038	173.76
19	B	895	877	9.19
20	B	687	674	1.16
21	B	158	155	14.81

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.198
C2	0.000	1.125	0.321
C3	0.000	-1.125	0.321
O4	0.386	0.637	-0.954
O5	-0.386	-0.637	-0.954
H6	0.769	1.852	0.618
H7	-0.769	-1.852	0.618
H8	-1.006	1.578	0.295
H9	1.006	-1.578	0.295

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4259	1.4259	2.2773	2.2773	2.0877	2.0877	2.0780	2.0780
C2	1.4259		2.2493	1.4192	2.2087	1.0997	3.0889	1.1037	2.8841
C3	1.4259	2.2493		2.2087	1.4192	3.0889	1.0997	2.8841	1.1037
O4	2.2773	1.4192	2.2087		1.4888	2.0241	3.1624	2.0935	2.6172
O5	2.2773	2.2087	1.4192	1.4888		3.1624	2.0241	2.6172	2.0935
H6	2.0877	1.0997	3.0889	2.0241	3.1624		4.0112	1.8253	3.4536
H7	2.0877	3.0889	1.0997	3.1624	2.0241	4.0112		3.4536	1.8253
H8	2.0780	1.1037	2.8841	2.0935	2.6172	1.8253	3.4536		3.7429
H9	2.0780	2.8841	1.1037	2.6172	2.0935	3.4536	1.8253	3.7429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	105.999	O1	C2	H6	111.260
O1	C2	H8	109.939	O1	C3	O5	105.999
O1	C3	H7	111.260	O1	C3	H9	109.939
C2	O1	C3	104.696	C2	O4	O5	100.285
C3	O5	O4	100.285	O4	C2	H6	106.590
O4	C2	H8	111.614	O5	C3	H7	106.590
O5	C3	H9	111.614	H6	C2	H8	111.282
H7	C3	H9	111.282

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: B97D3/6-31G*

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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Number	Element	Mulliken
1	O	-0.468
2	C	0.180
3	C	0.180
4	O	-0.268
5	O	-0.268
6	H	0.170
7	H	0.170
8	H	0.152
9	H	0.152

	x	y	z
x	4.047	0.286	0.000
y	0.286	6.075	0.000
z	0.000	0.000	4.004

<r²>	84.880
(<r²>)^1/2	9.213

All results from a given calculation for C2H4O3 (trioxolane124)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)