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	hartrees
Energy at 0K	-303.251292
Energy at 298.15K	-303.257898
HF Energy	-302.425099
Nuclear repulsion energy	193.020322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3013	29.37
2	A'	3109	2943	35.43
3	A'	1574	1490	0.14
4	A'	1391	1317	0.32
5	A'	1274	1206	1.07
6	A'	1068	1011	34.44
7	A'	983	931	10.84
8	A'	938	888	3.66
9	A'	888	840	0.61
10	A'	728	689	1.57
11	A'	412	390	4.52
12	A"	3168	2998	0.24
13	A"	3100	2934	22.46
14	A"	1556	1473	0.11
15	A"	1389	1315	2.32
16	A"	1262	1194	0.01
17	A"	1188	1124	0.04
18	A"	1077	1020	2.58
19	A"	825	780	27.75
20	A"	746	706	4.79
21	A"	113	107	3.30

Atom	x (Å)	y (Å)	z (Å)
O1	-0.561	-1.051	0.000
O2	0.139	-0.490	1.103
O3	0.139	-0.490	-1.103
C4	0.139	0.899	0.777
C5	0.139	0.899	-0.777
H6	1.045	1.326	1.216
H7	1.045	1.326	-1.216
H8	-0.749	1.402	1.179
H9	-0.749	1.402	-1.179

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4217	1.4217	2.2131	2.2131	3.1158	3.1158	2.7288	2.7288
O2	1.4217		2.2051	1.4265	2.3368	2.0319	3.0809	2.0915	3.0944
O3	1.4217	2.2051		2.3368	1.4265	3.0809	2.0319	3.0944	2.0915
C4	2.2131	1.4265	2.3368		1.5536	1.0935	2.2303	1.0971	2.2063
C5	2.2131	2.3368	1.4265	1.5536		2.2303	1.0935	2.2063	1.0971
H6	3.1158	2.0319	3.0809	1.0935	2.2303		2.4323	1.7958	2.9936
H7	3.1158	3.0809	2.0319	2.2303	1.0935	2.4323		2.9936	1.7958
H8	2.7288	2.0915	3.0944	1.0971	2.2063	1.7958	2.9936		2.3587
H9	2.7288	3.0944	2.0915	2.2063	1.0971	2.9936	1.7958	2.3587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.973	O1	O3	C5	101.973
O2	O1	O3	101.700	O2	C4	C5	103.202
O2	C4	H6	106.733	O2	C4	H8	111.276
O3	C5	C4	103.202	O3	C5	H7	106.733
O3	C5	H9	111.276	C4	C5	H7	113.691
C4	C5	H9	111.526	C5	C4	H6	113.691
C5	C4	H8	111.526	H6	C4	H8	110.129
H7	C5	H9	110.129

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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