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	hartrees
Energy at 0K	-303.694603
Energy at 298.15K	-303.701149
HF Energy	-302.565770
Nuclear repulsion energy	193.955961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3033	16.60
2	A'	3112	2951	41.71
3	A'	1533	1454	0.25
4	A'	1352	1282	0.41
5	A'	1254	1190	2.08
6	A'	1023	970	29.98
7	A'	967	917	10.79
8	A'	897	851	1.94
9	A'	872	827	0.61
10	A'	710	673	1.43
11	A'	413	392	4.23
12	A"	3181	3017	0.07
13	A"	3103	2943	14.88
14	A"	1517	1439	1.58
15	A"	1367	1296	0.79
16	A"	1241	1177	0.00
17	A"	1167	1107	0.15
18	A"	1047	993	0.71
19	A"	749	710	37.90
20	A"	713	676	8.61
21	A"	110	105	3.51

Atom	x (Å)	y (Å)	z (Å)
O1	-0.560	-1.041	0.000
O2	0.139	-0.488	1.098
O3	0.139	-0.488	-1.098
C4	0.139	0.893	0.773
C5	0.139	0.893	-0.773
H6	1.040	1.315	1.204
H7	1.040	1.315	-1.204
H8	-0.744	1.392	1.167
H9	-0.744	1.392	-1.167

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4141	1.4141	2.1966	2.1966	3.0921	3.0921	2.7046	2.7046
O2	1.4141		2.1960	1.4182	2.3250	2.0183	3.0599	2.0779	3.0728
O3	1.4141	2.1960		2.3250	1.4182	3.0599	2.0183	3.0728	2.0779
C4	2.1966	1.4182	2.3250		1.5457	1.0846	2.2134	1.0883	2.1889
C5	2.1966	2.3250	1.4182	1.5457		2.2134	1.0846	2.1889	1.0883
H6	3.0921	2.0183	3.0599	1.0846	2.2134		2.4085	1.7863	2.9684
H7	3.0921	3.0599	2.0183	2.2134	1.0846	2.4085		2.9684	1.7863
H8	2.7046	2.0779	3.0728	1.0883	2.1889	1.7863	2.9684		2.3336
H9	2.7046	3.0728	2.0779	2.1889	1.0883	2.9684	1.7863	2.3336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.708	O1	O3	C5	101.708
O2	O1	O3	101.877	O2	C4	C5	103.255
O2	C4	H6	106.739	O2	C4	H8	111.309
O3	C5	C4	103.255	O3	C5	H7	106.739
O3	C5	H9	111.309	C4	C5	H7	113.438
C4	C5	H9	111.222	C5	C4	H6	113.438
C5	C4	H8	111.222	H6	C4	H8	110.580
H7	C5	H9	110.580

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

using model chemistry: MP2/cc-pVQZ

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: MP2/cc-pVQZ

States and conformations

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