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	hartrees
Energy at 0K	-305.980752
Energy at 298.15K	-305.991051
Nuclear repulsion energy	258.805089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	3043	23.00
2	A	3147	3036	25.01
3	A	3145	3035	14.55
4	A	3133	3023	25.12
5	A	3076	2968	6.82
6	A	3051	2944	68.02
7	A	3045	2938	47.15
8	A	3039	2932	46.43
9	A	1570	1515	0.24
10	A	1560	1505	3.10
11	A	1554	1500	2.40
12	A	1550	1496	4.32
13	A	1460	1408	16.30
14	A	1424	1374	40.12
15	A	1390	1341	1.38
16	A	1379	1330	18.34
17	A	1313	1267	8.86
18	A	1246	1202	9.64
19	A	1212	1169	0.09
20	A	1161	1120	16.72
21	A	1140	1100	33.55
22	A	1118	1079	36.24
23	A	1108	1069	109.93
24	A	1021	985	14.97
25	A	991	956	42.57
26	A	927	895	12.34
27	A	903	872	3.90
28	A	838	808	28.23
29	A	809	780	15.38
30	A	686	662	2.88
31	A	630	608	4.21
32	A	457	441	13.24
33	A	336	324	3.23
34	A	237	228	0.87
35	A	220	212	0.66
36	A	32	31	11.20

Atom	x (Å)	y (Å)	z (Å)
C1	2.008	0.008	0.361
H2	2.577	-0.922	0.275
H3	2.629	0.847	0.035
H4	1.719	0.155	1.404
C5	0.754	-0.070	-0.487
H6	0.971	-0.191	-1.554
O7	-0.050	1.156	-0.348
O8	-0.058	-1.180	0.010
C9	-1.450	-0.705	-0.000
H10	-1.999	-1.280	0.746
H11	-1.906	-0.822	-0.991
C12	-1.288	0.781	0.355
H13	-1.183	0.910	1.438
H14	-2.094	1.411	-0.025

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0935	1.0930	1.0927	1.5165	2.1876	2.4609	2.4099	3.5496	4.2275	4.2238	3.3854	3.4867	4.3524
H2	1.0935		1.7855	1.7808	2.1519	2.5420	3.4066	2.6610	4.0421	4.6144	4.6595	4.2238	4.3409	5.2293
H3	1.0930	1.7855		1.7841	2.1517	2.5203	2.7236	3.3662	4.3643	5.1433	4.9399	3.9303	4.0625	4.7568
H4	1.0927	1.7808	1.7841		2.1351	3.0714	2.6831	2.6241	3.5711	4.0397	4.4532	3.2452	2.9982	4.2608
C5	1.5165	2.1519	2.1517	2.1351		1.0961	1.4725	1.4624	2.3443	3.2501	2.8095	2.3663	2.9011	3.2424
H6	2.1876	2.5420	2.5203	3.0714	1.0961		2.0764	2.1177	2.9223	3.9113	2.9986	3.1128	3.8478	3.7807
O7	2.4609	3.4066	2.7236	2.6831	1.4725	2.0764		2.3638	2.3548	3.3065	2.7876	1.4719	2.1294	2.0849
O8	2.4099	2.6610	3.3662	2.6241	1.4624	2.1177	2.3638		1.4708	2.0785	2.1319	2.3406	2.7705	3.2953
C9	3.5496	4.0421	4.3643	3.5711	2.3443	2.9223	2.3548	1.4708		1.0904	1.0970	1.5364	2.1791	2.2115
H10	4.2275	4.6144	5.1433	4.0397	3.2501	3.9113	3.3065	2.0785	1.0904		1.7984	2.2156	2.4382	2.8007
H11	4.2238	4.6595	4.9399	4.4532	2.8095	2.9986	2.7876	2.1319	1.0970	1.7984		2.1822	3.0697	2.4393
C12	3.3854	4.2238	3.9303	3.2452	2.3663	3.1128	1.4719	2.3406	1.5364	2.2156	2.1822		1.0961	1.0912
H13	3.4867	4.3409	4.0625	2.9982	2.9011	3.8478	2.1294	2.7705	2.1791	2.4382	3.0697	1.0961		1.7951
H14	4.3524	5.2293	4.7568	4.2608	3.2424	3.7807	2.0849	3.2953	2.2115	2.8007	2.4393	1.0912	1.7951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	112.729	C1	C5	O7	110.829
C1	C5	O8	107.983	H2	C1	H3	109.500
H2	C1	H4	109.088	H2	C1	C5	110.019
H3	C1	H4	109.430	H3	C1	C5	110.035
H4	C1	C5	108.748	C5	O7	C12	106.963
C5	O8	C9	106.110	H6	C5	O7	106.963
H6	C5	O8	110.919	O7	C5	O8	107.301
O7	C12	C9	103.003	O7	C12	H13	111.185
O7	C12	H14	107.943	O8	C9	H10	107.557
O8	C9	H11	111.417	O8	C9	C12	102.192
C9	C12	H13	110.626	C9	C12	H14	113.542
H10	C9	H11	110.606	H10	C9	C12	113.934
H11	C9	C12	110.820	H13	C12	H14	110.312

All results from a given calculation for C₄H₈O₂ (1,3-Dioxolane, 2-methyl-)

using model chemistry: B3LYP/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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Number	Element	Mulliken	ESP
1	C	-0.561	-0.583
2	H	0.200	0.146
3	H	0.200	0.151
4	H	0.206	0.184
5	C	0.254	0.582
6	H	0.195	0.012
7	O	-0.484	-0.453
8	O	-0.483	-0.424
9	C	-0.173	0.000
10	H	0.210	0.100
11	H	0.197	0.070
12	C	-0.162	0.077
13	H	0.196	0.063
14	H	0.205	0.074

	x	y	z	Total
	-1.153	-0.069	0.294	1.192
CHELPG
AIM
ESP	-1.176	-0.071	0.320	1.221

	x	y	z
x	8.098	-0.061	-0.341
y	-0.061	5.860	0.075
z	-0.341	0.075	5.945

<r²>	150.778
(<r²>)^1/2	12.279

All results from a given calculation for C4H8O2 (1,3-Dioxolane, 2-methyl-)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₄H₈O₂ (1,3-Dioxolane, 2-methyl-)