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	hartrees
Energy at 0K	-268.344094
Energy at 298.15K	-268.352260
Nuclear repulsion energy	193.976814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3124	3000	23.79
2	A	3018	2898	9.33
3	A	3010	2890	132.68
4	A	1584	1521	6.39
5	A	1545	1484	3.26
6	A	1399	1343	10.51
7	A	1262	1212	9.24
8	A	1219	1171	53.68
9	A	1171	1124	36.76
10	A	1145	1099	140.76
11	A	972	933	4.69
12	A	955	917	4.75
13	A	733	704	0.93
14	A	266	255	0.58
15	A	3128	3004	41.92
16	A	3049	2928	91.29
17	A	3024	2904	78.84
18	A	1541	1479	0.93
19	A	1452	1395	14.22
20	A	1358	1304	0.15
21	A	1235	1186	2.65
22	A	1162	1116	16.41
23	A	1078	1035	36.09
24	A	963	925	56.54
25	A	910	874	27.13
26	A	650	624	3.82
27	A	17	16	16.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.206
C2	-0.293	0.704	-0.947
C3	0.293	-0.704	-0.947
O4	0.000	1.149	0.376
O5	0.000	-1.149	0.376
H6	0.899	0.043	1.838
H7	-0.899	-0.043	1.838
H8	-1.378	0.685	-1.129
H9	1.378	-0.685	-1.129
H10	-0.181	-1.392	-1.652
H11	0.181	1.392	-1.652

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.2844	2.2844	1.4181	1.4181	1.0998	1.0998	2.7969	2.7969	3.1846	3.1846
C2	2.2844		1.5255	1.4260	2.2958	3.1007	2.9464	1.1006	2.1809	2.2141	1.0932
C3	2.2844	1.5255		2.2958	1.4260	2.9464	3.1007	2.1809	1.1006	1.0932	2.2141
O4	1.4181	1.4260	2.2958		2.2987	2.0423	2.0902	2.0928	2.7437	3.2561	2.0505
O5	1.4181	2.2958	1.4260	2.2987		2.0902	2.0423	2.7437	2.0928	2.0505	3.2561
H6	1.0998	3.1007	2.9464	2.0423	2.0902		1.8008	3.7950	3.0921	3.9253	3.8100
H7	1.0998	2.9464	3.1007	2.0902	2.0423	1.8008		3.0921	3.7950	3.8100	3.9253
H8	2.7969	1.1006	2.1809	2.0928	2.7437	3.7950	3.0921		3.0783	2.4532	1.7906
H9	2.7969	2.1809	1.1006	2.7437	2.0928	3.0921	3.7950	3.0783		1.7906	2.4532
H10	3.1846	2.2141	1.0932	3.2561	2.0505	3.9253	3.8100	2.4532	1.7906		2.8066
H11	3.1846	1.0932	2.2141	2.0505	3.2561	3.8100	3.9253	1.7906	2.4532	2.8066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	106.875	C1	O5	C3	106.875
C2	C3	O5	102.076	C2	C3	H9	111.261
C2	C3	H10	114.437	C3	C2	O4	102.076
C3	C2	H8	111.261	C3	C2	H11	114.437
O4	C1	O5	108.285	O4	C1	H6	107.735
O4	C1	H7	111.600	O4	C2	H8	111.200
O4	C2	H11	108.239	O5	C1	H6	111.600
O5	C1	H7	107.735	O5	C3	H9	111.200
O5	C3	H10	108.239	H6	C1	H7	109.907
H8	C2	H11	109.411	H9	C3	H10	109.411

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

using model chemistry: B3LYP/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	CHELPG	ESP
1	C	0.211	0.463	0.028
2	C	-0.048	-0.414	0.032
3	C	-0.048	-0.446	0.152
4	O	-0.486	0.096	0.032
5	O	-0.486	0.212	0.027
6	H	0.136	-0.020	0.152
7	H	0.136	0.001	-0.416
8	H	0.139	0.016	-0.416
9	H	0.139	0.046	0.019
10	H	0.153	0.038	0.019
11	H	0.153	0.007	0.371

	x	y	z	Total
	0.000	0.000	-1.189	1.189
CHELPG	1.168	0.264	0.340	1.245
AIM
ESP	1.192	0.001	0.001	1.192

	x	y	z
x	5.033	-0.058	0.000
y	-0.058	4.846	0.000
z	0.000	0.000	6.405

<r²>	93.524
(<r²>)^1/2	9.671

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

using model chemistry: B3LYP/6-31G*

States and conformations

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