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	hartrees
Energy at 0K	-301.394105
Energy at 298.15K
HF Energy	-300.765522
Nuclear repulsion energy	183.980980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3139	3073
2	A'	3069	3004
3	A'	1575	1542
4	A'	1331	1302
5	A'	1210	1185
6	A'	915	895
7	A'	874	856
8	A'	863	844
9	A'	818	801
10	A'	606	593
11	A'	335	328
12	A"	3117	3051
13	A"	3058	2993
14	A"	1559	1525
15	A"	1354	1325
16	A"	1253	1226
17	A"	1112	1089
18	A"	927	908
19	A"	738	722
20	A"	669	654
21	A"	32i	31i

Atom	x (Å)	y (Å)	z (Å)
O1	-0.657	-1.097	0.000
O2	0.163	-0.507	1.184
O3	0.163	-0.507	-1.184
C4	0.163	0.939	0.788
C5	0.163	0.939	-0.788
H6	1.078	1.362	1.215
H7	1.078	1.362	-1.215
H8	-0.727	1.449	1.175
H9	-0.727	1.449	-1.175

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.5567	1.5567	2.3319	2.3319	3.2458	3.2458	2.8053	2.8053
O2	1.5567		2.3689	1.4984	2.4454	2.0812	3.1760	2.1486	3.1909
O3	1.5567	2.3689		2.4454	1.4984	3.1760	2.0812	3.1909	2.1486
C4	2.3319	1.4984	2.4454		1.5767	1.0954	2.2429	1.0963	2.2150
C5	2.3319	2.4454	1.4984	1.5767		2.2429	1.0954	2.2150	1.0963
H6	3.2458	2.0812	3.1760	1.0954	2.2429		2.4298	1.8080	2.9963
H7	3.2458	3.1760	2.0812	2.2429	1.0954	2.4298		2.9963	1.8080
H8	2.8053	2.1486	3.1909	1.0963	2.2150	1.8080	2.9963		2.3495
H9	2.8053	3.1909	2.1486	2.2150	1.0963	2.9963	1.8080	2.3495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	99.493	O1	O3	C5	99.493
O2	O1	O3	99.084	O2	C4	C5	105.328
O2	C4	H6	105.664	O2	C4	H8	110.853
O3	C5	C4	105.328	O3	C5	H7	105.664
O3	C5	H9	110.853	C4	C5	H7	112.919
C4	C5	H9	110.640	C5	C4	H6	112.919
C5	C4	H8	110.640	H6	C4	H8	111.172
H7	C5	H9	111.172

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

using model chemistry: MP4=FULL/3-21G

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=FULL/3-21G

States and conformations

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