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	hartrees
Energy at 0K	-268.344091
Energy at 298.15K	-268.352272
Nuclear repulsion energy	193.978264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3123	2992	23.82
2	A	3017	2890	10.98
3	A	3009	2883	130.97
4	A	1584	1518	6.43
5	A	1545	1480	3.22
6	A	1399	1340	10.54
7	A	1262	1209	9.39
8	A	1220	1168	53.99
9	A	1171	1121	37.55
10	A	1145	1097	139.57
11	A	972	931	4.78
12	A	955	915	4.61
13	A	733	702	0.91
14	A	265	254	0.57
15	A	3128	2996	41.80
16	A	3048	2920	91.24
17	A	3023	2896	79.03
18	A	1540	1476	0.92
19	A	1452	1391	14.22
20	A	1358	1301	0.15
21	A	1235	1183	2.64
22	A	1162	1114	16.41
23	A	1078	1033	36.08
24	A	963	923	56.67
25	A	910	872	27.02
26	A	650	622	3.83
27	A	25	24	16.61

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	-1.379	0.685	-1.129
H9	1.379	-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		2.2843	2.2843	1.4181	1.4181	1.0998	1.0998	2.7969	2.7969	3.1846	3.1846
C2	2.2843		1.5258	1.4259	2.2959	3.1007	2.9463	1.1007	2.1810	2.2143	1.0932
C3	2.2843	1.5258		2.2959	1.4259	2.9463	3.1007	2.1810	1.1007	1.0932	2.2143
O4	1.4181	1.4259	2.2959		2.2987	2.0422	2.0902	2.0929	2.7437	3.2561	2.0504
O5	1.4181	2.2959	1.4259	2.2987		2.0902	2.0422	2.7437	2.0929	2.0504	3.2561
H6	1.0998	3.1007	2.9463	2.0422	2.0902		1.8007	3.7951	3.0922	3.9252	3.8100
H7	1.0998	2.9463	3.1007	2.0902	2.0422	1.8007		3.0922	3.7951	3.8100	3.9252
H8	2.7969	1.1007	2.1810	2.0929	2.7437	3.7951	3.0922		3.0784	2.4533	1.7906
H9	2.7969	2.1810	1.1007	2.7437	2.0929	3.0922	3.7951	3.0784		1.7906	2.4533
H10	3.1846	2.2143	1.0932	3.2561	2.0504	3.9252	3.8100	2.4533	1.7906		2.8068
H11	3.1846	1.0932	2.2143	2.0504	3.2561	3.8100	3.9252	1.7906	2.4533	2.8068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	106.876	C1	O5	C3	106.876
C2	C3	O5	102.071	C2	C3	H9	111.254
C2	C3	H10	114.439	C3	C2	O4	102.071
C3	C2	H8	111.254	C3	C2	H11	114.439
O4	C1	O5	108.287	O4	C1	H6	107.736
O4	C1	H7	111.601	O4	C2	H8	111.211
O4	C2	H11	108.243	O5	C1	H6	111.601
O5	C1	H7	107.736	O5	C3	H9	111.211
O5	C3	H10	108.243	H6	C1	H7	109.902
H8	C2	H11	109.406	H9	C3	H10	109.406

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

using model chemistry: B3LYPultrafine/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	0.211
2	C	-0.048
3	C	-0.048
4	O	-0.486
5	O	-0.486
6	H	0.136
7	H	0.136
8	H	0.139
9	H	0.139
10	H	0.153
11	H	0.153

	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>	93.526
(<r²>)^1/2	9.671

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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