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	hartrees
Energy at 0K	-303.351023
Energy at 298.15K	-303.357483
HF Energy	-302.442442
Nuclear repulsion energy	191.528228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3158	3054
2	A'	3072	2971
3	A'	1505	1456
4	A'	1336	1292
5	A'	1233	1192
6	A'	1015	981
7	A'	943	912
8	A'	858	829
9	A'	827	800
10	A'	689	666
11	A'	404	391
12	A"	3141	3037
13	A"	3060	2959
14	A"	1489	1439
15	A"	1338	1294
16	A"	1212	1172
17	A"	1149	1111
18	A"	1032	998
19	A"	738	713
20	A"	638	617
21	A"	119	115

Atom	x (Å)	y (Å)	z (Å)
O1	-0.596	-1.053	0.000
O2	0.148	-0.489	1.124
O3	0.148	-0.489	-1.124
C4	0.148	0.898	0.781
C5	0.148	0.898	-0.781
H6	1.063	1.328	1.222
H7	1.063	1.328	-1.222
H8	-0.751	1.410	1.174
H9	-0.751	1.410	-1.174

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4610	1.4610	2.2291	2.2291	3.1488	3.1488	2.7327	2.7327
O2	1.4610		2.2473	1.4287	2.3561	2.0367	3.1051	2.1018	3.1134
O3	1.4610	2.2473		2.3561	1.4287	3.1051	2.0367	3.1134	2.1018
C4	2.2291	1.4287	2.3561		1.5619	1.1031	2.2439	1.1065	2.2116
C5	2.2291	2.3561	1.4287	1.5619		2.2439	1.1031	2.2116	1.1065
H6	3.1488	2.0367	3.1051	1.1031	2.2439		2.4446	1.8163	3.0063
H7	3.1488	3.1051	2.0367	2.2439	1.1031	2.4446		3.0063	1.8163
H8	2.7327	2.1018	3.1134	1.1065	2.2116	1.8163	3.0063		2.3475
H9	2.7327	3.1134	2.1018	2.2116	1.1065	3.0063	1.8163	2.3475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	100.953	O1	O3	C5	100.953
O2	O1	O3	100.545	O2	C4	C5	103.878
O2	C4	H6	106.399	O2	C4	H8	111.366
O3	C5	C4	103.878	O3	C5	H7	106.399
O3	C5	H9	111.366	C4	C5	H7	113.584
C4	C5	H9	110.793	C5	C4	H6	113.584
C5	C4	H8	110.793	H6	C4	H8	110.564
H7	C5	H9	110.564

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

using model chemistry: MP4/cc-pVDZ

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: MP4/cc-pVDZ

States and conformations

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