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	hartrees
Energy at 0K	-303.995545
Energy at 298.15K	-304.002190
HF Energy	-303.995545
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3019	32.37
2	A'	3101	2942	46.99
3	A'	1562	1481	0.20
4	A'	1380	1309	0.30
5	A'	1273	1207	0.90
6	A'	1052	998	36.05
7	A'	984	933	14.63
8	A'	963	913	0.66
9	A'	891	845	0.59
10	A'	737	699	1.55
11	A'	419	398	4.51
12	A"	3167	3004	0.64
13	A"	3091	2932	28.27
14	A"	1543	1464	0.05
15	A"	1378	1307	3.24
16	A"	1254	1190	0.00
17	A"	1183	1122	0.01
18	A"	1069	1014	2.92
19	A"	810	768	43.85
20	A"	753	714	1.78
21	A"	132	125	4.33

Atom	x (Å)	y (Å)	z (Å)
O1	-0.549	-1.047	0.000
O2	0.136	-0.487	1.098
O3	0.136	-0.487	-1.098
C4	0.136	0.895	0.777
C5	0.136	0.895	-0.777
H6	1.041	1.319	1.216
H7	1.041	1.319	-1.216
H8	-0.751	1.399	1.176
H9	-0.751	1.399	-1.176

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4099	1.4099	2.2010	2.2010	3.0991	3.0991	2.7222	2.7222
O2	1.4099		2.1951	1.4184	2.3286	2.0232	3.0710	2.0859	3.0845
O3	1.4099	2.1951		2.3286	1.4184	3.0710	2.0232	3.0845	2.0859
C4	2.2010	1.4184	2.3286		1.5537	1.0916	2.2292	1.0958	2.2034
C5	2.2010	2.3286	1.4184	1.5537		2.2292	1.0916	2.2034	1.0958
H6	3.0991	2.0232	3.0710	1.0916	2.2292		2.4316	1.7943	2.9898
H7	3.0991	3.0710	2.0232	2.2292	1.0916	2.4316		2.9898	1.7943
H8	2.7222	2.0859	3.0845	1.0958	2.2034	1.7943	2.9898		2.3520
H9	2.7222	3.0845	2.0859	2.2034	1.0958	2.9898	1.7943	2.3520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.193	O1	O3	C5	102.193
O2	O1	O3	102.242	O2	C4	C5	103.068
O2	C4	H6	106.702	O2	C4	H8	111.484
O3	C5	C4	103.068	O3	C5	H7	106.702
O3	C5	H9	111.484	C4	C5	H7	113.710
C4	C5	H9	111.363	C5	C4	H6	113.710
C5	C4	H8	111.363	H6	C4	H8	110.230
H7	C5	H9	110.230

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

using model chemistry: wB97X-D/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	-0.062
2	O	-0.257
3	O	-0.257
4	C	-0.089
5	C	-0.089
6	H	0.196
7	H	0.196
8	H	0.181
9	H	0.181

	x	y	z	Total
	0.317	3.531	0.000	3.546
CHELPG
AIM
ESP

	x	y	z
x	3.997	0.345	0.000
y	0.345	4.745	0.000
z	0.000	0.000	5.018

<r²>	85.795
(<r²>)^1/2	9.263

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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