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	hartrees
Energy at 0K	-305.841662
Energy at 298.15K	-305.852191
HF Energy	-305.841662
Nuclear repulsion energy	260.510165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3026	14.19
2	A	3173	3005	6.71
3	A	3167	3000	16.61
4	A	3150	2984	13.99
5	A	3098	2934	36.77
6	A	3091	2928	3.36
7	A	3076	2913	35.62
8	A	3044	2884	22.52
9	A	1575	1492	0.35
10	A	1563	1480	5.99
11	A	1555	1473	2.43
12	A	1548	1467	4.30
13	A	1465	1387	23.48
14	A	1429	1354	36.08
15	A	1398	1324	0.61
16	A	1386	1313	13.91
17	A	1320	1250	7.81
18	A	1256	1190	12.17
19	A	1225	1161	3.18
20	A	1181	1118	71.51
21	A	1162	1101	60.64
22	A	1145	1084	37.97
23	A	1125	1065	52.86
24	A	1066	1009	11.21
25	A	1026	972	25.70
26	A	946	896	5.99
27	A	929	880	1.10
28	A	872	826	37.39
29	A	846	801	2.57
30	A	714	676	2.30
31	A	634	600	5.93
32	A	464	440	19.36
33	A	359	340	1.74
34	A	252	239	0.65
35	A	237	225	0.87
36	A	82	78	12.84

Atom	x (Å)	y (Å)	z (Å)
C1	-1.925	0.006	-0.445
H2	-2.494	-0.926	-0.437
H3	-2.575	0.838	-0.167
H4	-1.533	0.171	-1.452
C5	-0.761	-0.089	0.522
H6	-1.072	-0.224	1.560
O7	0.054	1.118	0.475
O8	0.089	-1.197	0.090
C9	1.444	-0.669	-0.077
H10	1.925	-1.216	-0.887
H11	2.018	-0.765	0.850
C12	1.186	0.811	-0.400
H13	0.918	0.935	-1.455
H14	2.007	1.473	-0.130

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0918	1.0917	1.0929	1.5159	2.1909	2.4496	2.4064	3.4562	4.0633	4.2217	3.2138	3.1567	4.2085
H2	1.0918		1.7865	1.7764	2.1497	2.5498	3.3913	2.6496	3.9629	4.4506	4.6947	4.0691	4.0171	5.1092
H3	1.0917	1.7865		1.7835	2.1505	2.5243	2.7212	3.3626	4.2938	4.9987	4.9705	3.7685	3.7238	4.6258
H4	1.0929	1.7764	1.7835		2.1346	3.0720	2.6700	2.6226	3.3853	3.7680	4.3342	2.9845	2.5670	3.9964
C5	1.5159	2.1497	2.1505	2.1346		1.0921	1.4569	1.4623	2.3578	3.2356	2.8794	2.3346	2.7879	3.2444
H6	2.1909	2.5498	2.5243	3.0720	1.0921		2.0603	2.1108	3.0343	3.9937	3.2163	3.1640	3.7933	3.9006
O7	2.4496	3.3913	2.7212	2.6700	1.4569	2.0603		2.3474	2.3303	3.2868	2.7466	1.4637	2.1223	2.0750
O8	2.4064	2.6496	3.3626	2.6226	1.4623	2.1108	2.3474		1.4644	2.0795	2.1184	2.3402	2.7605	3.2954
C9	3.4562	3.9629	4.2938	3.3853	2.3578	3.0343	2.3303	1.4644		1.0895	1.0943	1.5365	2.1795	2.2155
H10	4.0633	4.4506	4.9987	3.7680	3.2356	3.9937	3.2868	2.0795	1.0895		1.7973	2.2117	2.4425	2.7954
H11	4.2217	4.6947	4.9705	4.3342	2.8794	3.2163	2.7466	2.1184	1.0943	1.7973		2.1772	3.0685	2.4439
C12	3.2138	4.0691	3.7685	2.9845	2.3346	3.1640	1.4637	2.3402	1.5365	2.2117	2.1772		1.0951	1.0888
H13	3.1567	4.0171	3.7238	2.5670	2.7879	3.7933	2.1223	2.7605	2.1795	2.4425	3.0685	1.0951		1.7972
H14	4.2085	5.1092	4.6258	3.9964	3.2444	3.9006	2.0750	3.2954	2.2155	2.7954	2.4439	1.0888	1.7972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	113.293	C1	C5	O7	110.959
C1	C5	O8	107.790	H2	C1	H3	109.802
H2	C1	H4	108.799	H2	C1	C5	109.987
H3	C1	H4	109.444	H3	C1	C5	110.051
H4	C1	C5	108.730	C5	O7	C12	106.137
C5	O8	C9	107.339	H6	C5	O7	106.979
H6	C5	O8	110.611	O7	C5	O8	107.052
O7	C12	C9	101.892	O7	C12	H13	111.265
O7	C12	H14	107.860	O8	C9	H10	108.128
O8	C9	H11	110.942	O8	C9	C12	102.461
C9	C12	H13	110.707	C9	C12	H14	114.018
H10	C9	H11	110.774	H10	C9	C12	113.655
H11	C9	C12	110.572	H13	C12	H14	110.756

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

using model chemistry: M06-2X/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
1	C	-0.569
2	H	0.211
3	H	0.207
4	H	0.206
5	C	0.246
6	H	0.219
7	O	-0.510
8	O	-0.516
9	C	-0.167
10	H	0.219
11	H	0.210
12	C	-0.186
13	H	0.206
14	H	0.224

	x	y	z	Total
	1.054	0.189	-0.778	1.324
CHELPG
AIM
ESP

	x	y	z
x	7.693	0.077	-0.361
y	0.077	5.693	-0.074
z	-0.361	-0.074	5.786

<r²>	147.308
(<r²>)^1/2	12.137

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

using model chemistry: M06-2X/3-21G*

States and conformations

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