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	hartrees
Energy at 0K	-268.249978
Energy at 298.15K	-268.258051
HF Energy	-268.249978
Nuclear repulsion energy	191.949437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3036	3011	26.16
2	A	2922	2899	3.59
3	A	2913	2890	148.94
4	A	1537	1524	6.69
5	A	1500	1488	4.20
6	A	1351	1341	10.97
7	A	1220	1210	7.06
8	A	1166	1157	35.44
9	A	1130	1121	5.81
10	A	1076	1067	164.17
11	A	917	910	4.83
12	A	916	908	6.40
13	A	700	695	1.73
14	A	265	262	0.55
15	B	3039	3015	43.55
16	B	2946	2922	113.59
17	B	2931	2907	76.66
18	B	1498	1485	0.50
19	B	1403	1391	13.68
20	B	1313	1302	0.09
21	B	1190	1181	1.40
22	B	1120	1111	12.20
23	B	1005	997	23.47
24	B	902	894	49.20
25	B	868	861	37.85
26	B	627	622	3.09
27	B	35	35	15.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.214
C2	-0.282	0.719	-0.954
C3	0.282	-0.719	-0.954
O4	0.000	1.158	0.381
O5	0.000	-1.158	0.381
H6	0.903	0.044	1.857
H7	-0.903	-0.044	1.857
H8	-1.371	0.719	-1.164
H9	1.371	-0.719	-1.164
H10	-0.220	-1.399	-1.660
H11	0.220	1.399	-1.660

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3007	2.3007	1.4264	1.4264	1.1096	1.1096	2.8376	2.8376	3.2033	3.2033
C2	2.3007		1.5439	1.4329	2.3200	3.1236	2.9777	1.1094	2.2005	2.2331	1.1009
C3	2.3007	1.5439		2.3200	1.4329	2.9777	3.1236	2.2005	1.1094	1.1009	2.2331
O4	1.4264	1.4329	2.3200		2.3160	2.0579	2.1068	2.1118	2.7912	3.2786	2.0664
O5	1.4264	2.3200	1.4329	2.3160		2.1068	2.0579	2.7912	2.1118	2.0664	3.2786
H6	1.1096	3.1236	2.9777	2.0579	2.1068		1.8085	3.8412	3.1511	3.9632	3.8298
H7	1.1096	2.9777	3.1236	2.1068	2.0579	1.8085		3.1511	3.8412	3.8298	3.9632
H8	2.8376	1.1094	2.2005	2.1118	2.7912	3.8412	3.1511		3.0959	2.4610	1.7989
H9	2.8376	2.2005	1.1094	2.7912	2.1118	3.1511	3.8412	3.0959		1.7989	2.4610
H10	3.2033	2.2331	1.1009	3.2786	2.0664	3.9632	3.8298	2.4610	1.7989		2.8321
H11	3.2033	1.1009	2.2331	2.0664	3.2786	3.8298	3.9632	1.7989	2.4610	2.8321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	107.155	C1	O5	C3	107.155
C2	C3	O5	102.343	C2	C3	H9	111.000
C2	C3	H10	114.158	C3	C2	O4	102.343
C3	C2	H8	111.000	C3	C2	H11	114.158
O4	C1	O5	108.552	O4	C1	H6	107.830
O4	C1	H7	111.750	O4	C2	H8	111.704
O4	C2	H11	108.569	O5	C1	H6	111.750
O5	C1	H7	107.830	O5	C3	H9	111.704
O5	C3	H10	108.569	H6	C1	H7	109.165
H8	C2	H11	108.950	H9	C3	H10	108.950

All results from a given calculation for C₃H₆O₂ (1,3-Dioxolane)

using model chemistry: BLYP/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	C	0.199
2	C	-0.034
3	C	-0.034
4	O	-0.446
5	O	-0.446
6	H	0.121
7	H	0.121
8	H	0.123
9	H	0.123
10	H	0.136
11	H	0.136

	x	y	z
x	5.198	-0.060	0.000
y	-0.060	5.067	0.000
z	0.000	0.000	6.745

<r²>	95.128
(<r²>)^1/2	9.753

All results from a given calculation for C3H6O2 (1,3-Dioxolane)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₃H₆O₂ (1,3-Dioxolane)