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	hartrees
Energy at 0K	-303.302368
Energy at 298.15K	-303.308859
HF Energy	-302.434775
Nuclear repulsion energy	192.051772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3048	19.57
2	A'	3155	2964	40.29
3	A'	1563	1468	0.22
4	A'	1373	1290	0.02
5	A'	1257	1180	1.80
6	A'	1018	956	22.94
7	A'	965	906	17.11
8	A'	884	830	0.50
9	A'	862	809	1.71
10	A'	697	655	1.38
11	A'	408	384	4.81
12	A"	3228	3032	0.00
13	A"	3148	2956	16.37
14	A"	1546	1452	0.98
15	A"	1380	1296	0.31
16	A"	1248	1172	0.01
17	A"	1173	1101	0.09
18	A"	1040	977	0.46
19	A"	738	693	30.23
20	A"	682	640	19.81
21	A"	105	99	4.27

Atom	x (Å)	y (Å)	z (Å)
O1	-0.566	-1.054	0.000
O2	0.140	-0.488	1.108
O3	0.140	-0.488	-1.108
C4	0.140	0.900	0.776
C5	0.140	0.900	-0.776
H6	1.043	1.321	1.210
H7	1.043	1.321	-1.210
H8	-0.744	1.399	1.173
H9	-0.744	1.399	-1.173

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4302	1.4302	2.2182	2.2182	3.1133	3.1133	2.7251	2.7251
O2	1.4302		2.2151	1.4279	2.3402	2.0244	3.0759	2.0855	3.0900
O3	1.4302	2.2151		2.3402	1.4279	3.0759	2.0244	3.0900	2.0855
C4	2.2182	1.4279	2.3402		1.5519	1.0864	2.2220	1.0903	2.1979
C5	2.2182	2.3402	1.4279	1.5519		2.2220	1.0864	2.1979	1.0903
H6	3.1133	2.0244	3.0759	1.0864	2.2220		2.4209	1.7890	2.9803
H7	3.1133	3.0759	2.0244	2.2220	1.0864	2.4209		2.9803	1.7890
H8	2.7251	2.0855	3.0900	1.0903	2.1979	1.7890	2.9803		2.3469
H9	2.7251	3.0900	2.0855	2.1979	1.0903	2.9803	1.7890	2.3469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.813	O1	O3	C5	101.813
O2	O1	O3	101.505	O2	C4	C5	103.430
O2	C4	H6	106.466	O2	C4	H8	111.120
O3	C5	C4	103.430	O3	C5	H7	106.466
O3	C5	H9	111.120	C4	C5	H7	113.574
C4	C5	H9	111.381	C5	C4	H6	113.574
C5	C4	H8	111.381	H6	C4	H8	110.551
H7	C5	H9	110.551

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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