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	hartrees
Energy at 0K	-307.565172
Energy at 298.15K	-307.575609
Nuclear repulsion energy	263.296575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3039	15.89
2	A	3164	3033	13.49
3	A	3138	3007	29.72
4	A	3088	2960	48.60
5	A	3074	2946	8.13
6	A	3043	2917	62.51
7	A	3010	2885	58.37
8	A	2945	2822	101.58
9	A	1541	1477	0.35
10	A	1521	1458	3.17
11	A	1495	1433	2.00
12	A	1494	1432	6.37
13	A	1450	1390	79.05
14	A	1401	1342	8.06
15	A	1397	1339	6.54
16	A	1385	1328	4.56
17	A	1340	1285	0.84
18	A	1258	1206	23.02
19	A	1231	1180	0.82
20	A	1190	1140	123.15
21	A	1168	1119	45.87
22	A	1144	1097	52.68
23	A	1121	1075	52.56
24	A	1090	1045	17.60
25	A	1066	1022	39.29
26	A	961	921	8.05
27	A	896	859	3.70
28	A	892	855	43.01
29	A	856	820	8.12
30	A	707	678	1.36
31	A	679	651	2.83
32	A	503	482	4.69
33	A	332	318	5.71
34	A	232	223	0.42
35	A	210	202	3.80
36	A	51	49	4.46

Atom	x (Å)	y (Å)	z (Å)
C1	-2.075	0.013	-0.201
H2	-2.629	-0.899	0.036
H3	-2.619	0.870	0.203
H4	-1.997	0.117	-1.286
C5	-0.693	-0.046	0.399
H6	-0.739	-0.163	1.499
O7	0.035	1.138	0.100
O8	0.038	-1.114	-0.155
C9	1.392	-0.752	0.046
H10	2.012	-1.308	-0.660
H11	1.713	-0.993	1.072
C12	1.376	0.763	-0.188
H13	1.608	1.019	-1.229
H14	2.072	1.298	0.469

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0931	1.0927	1.0925	1.5076	2.1692	2.4097	2.3952	3.5585	4.3196	4.1209	3.5313	3.9544	4.3932
H2	1.0931		1.7774	1.7827	2.1461	2.5007	3.3538	2.6820	4.0228	4.7103	4.4647	4.3415	4.8201	5.2072
H3	1.0927	1.7774		1.7803	2.1421	2.5066	2.6696	3.3356	4.3294	5.1902	4.7955	4.0155	4.4662	4.7186
H4	1.0925	1.7827	1.7803		2.1364	3.0684	2.6626	2.6333	3.7431	4.3003	4.5337	3.6051	3.7169	4.5860
C5	1.5076	2.1461	2.1421	2.1364		1.1072	1.4218	1.4077	2.2290	3.1673	2.6719	2.2978	3.0139	3.0757
H6	2.1692	2.5007	2.5066	3.0684	1.1072		2.0614	2.0603	2.6452	3.6801	2.6239	2.8595	3.7886	3.3317
O7	2.4097	3.3538	2.6696	2.6626	1.4218	2.0614		2.2664	2.3272	3.2355	2.8812	1.4216	2.0633	2.0768
O8	2.3952	2.6820	3.3356	2.6333	1.4077	2.0603	2.2664		1.4155	2.0470	2.0802	2.3056	2.8586	3.2167
C9	3.5585	4.0228	4.3294	3.7431	2.2290	2.6452	2.3272	1.4155		1.0924	1.1014	1.5338	2.1938	2.2015
H10	4.3196	4.7103	5.1902	4.3003	3.1673	3.6801	3.2355	2.0470	1.0924		1.7860	2.2176	2.4292	2.8407
H11	4.1209	4.4647	4.7955	4.5337	2.6719	2.6239	2.8812	2.0802	1.1014	1.7860		2.1875	3.0586	2.3959
C12	3.5313	4.3415	4.0155	3.6051	2.2978	2.8595	1.4216	2.3056	1.5338	2.2176	2.1875		1.0974	1.0966
H13	3.9544	4.8201	4.4662	3.7169	3.0139	3.7886	2.0633	2.8586	2.1938	2.4292	3.0586	1.0974		1.7825
H14	4.3932	5.2072	4.7186	4.5860	3.0757	3.3317	2.0768	3.2167	2.2015	2.8407	2.3959	1.0966	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.183	C1	C5	O7	110.659
C1	C5	O8	110.439	H2	C1	H3	108.811
H2	C1	H4	109.309	H2	C1	C5	110.197
H3	C1	H4	109.123	H3	C1	C5	109.910
H4	C1	C5	109.468	C5	O7	C12	107.825
C5	O8	C9	104.278	H6	C5	O7	108.551
H6	C5	O8	109.431	O7	C5	O8	106.444
O7	C12	C9	103.831	O7	C12	H13	109.313
O7	C12	H14	110.450	O8	C9	H10	108.733
O8	C9	H11	110.861	O8	C9	C12	102.770
C9	C12	H13	111.911	C9	C12	H14	112.574
H10	C9	H11	109.003	H10	C9	C12	114.170
H11	C9	C12	111.156	H13	C12	H14	108.667

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

using model chemistry: B3PW91/6-31G**

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	-0.402
2	H	0.141
3	H	0.144
4	H	0.148
5	C	0.384
6	H	0.098
7	O	-0.515
8	O	-0.489
9	C	-0.038
10	H	0.142
11	H	0.123
12	C	0.013
13	H	0.130
14	H	0.123

	x	y	z	Total
	1.056	-0.245	0.348	1.139
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	149.187
(<r²>)^1/2	12.214

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

using model chemistry: B3PW91/6-31G**

States and conformations

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