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	hartrees
Energy at 0K	-304.394301
Energy at 298.15K	-304.404728
Nuclear repulsion energy	262.204332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3099	3048	6.82
2	A	3092	3041	12.52
3	A	3082	3031	13.84
4	A	3064	3013	14.89
5	A	3005	2956	3.62
6	A	2980	2931	49.33
7	A	2959	2911	61.34
8	A	2943	2895	25.93
9	A	1496	1471	2.79
10	A	1490	1466	9.34
11	A	1479	1455	0.58
12	A	1477	1453	9.52
13	A	1393	1370	37.78
14	A	1362	1340	22.46
15	A	1335	1313	11.92
16	A	1328	1306	7.91
17	A	1253	1232	8.65
18	A	1209	1190	14.76
19	A	1173	1154	3.51
20	A	1137	1119	23.70
21	A	1131	1113	114.61
22	A	1095	1078	30.40
23	A	1061	1044	36.21
24	A	1022	1005	24.44
25	A	1000	984	23.12
26	A	937	922	7.95
27	A	897	882	1.79
28	A	832	818	2.21
29	A	830	817	38.02
30	A	699	688	3.03
31	A	606	596	4.81
32	A	455	448	18.55
33	A	352	347	1.20
34	A	256	252	1.64
35	A	235	231	0.16
36	A	89	87	9.98

Atom	x (Å)	y (Å)	z (Å)
C1	1.879	0.003	0.460
H2	2.418	-0.957	0.508
H3	2.581	0.804	0.177
H4	1.460	0.218	1.457
C5	0.755	-0.088	-0.528
H6	1.100	-0.218	-1.571
O7	-0.064	1.107	-0.511
O8	-0.095	-1.199	-0.109
C9	-1.427	-0.648	0.082
H10	-1.916	-1.207	0.895
H11	-2.035	-0.705	-0.843
C12	-1.136	0.802	0.424
H13	-0.805	0.887	1.481
H14	-1.965	1.496	0.223

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.1021	1.1018	1.1034	1.4995	2.1863	2.4367	2.3801	3.3907	4.0075	4.1860	3.1192	3.0050	4.1310
H2	1.1021		1.8000	1.7890	2.1435	2.5699	3.3850	2.5981	3.8801	4.3581	4.6601	3.9658	3.8386	5.0308
H3	1.1018	1.8000		1.8000	2.1511	2.5084	2.7493	3.3545	4.2637	4.9784	4.9624	3.7247	3.6293	4.5986
H4	1.1034	1.7890	1.8000		2.1289	3.0807	2.6434	2.6226	3.3130	3.7076	4.2850	2.8541	2.3621	3.8587
C5	1.4995	2.1435	2.1511	2.1289		1.1065	1.4484	1.4599	2.3331	3.2264	2.8746	2.2957	2.7232	3.2355
H6	2.1863	2.5699	2.5084	3.0807	1.1065		2.0575	2.1277	3.0496	4.0194	3.2552	3.1651	3.7631	3.9433
O7	2.4367	3.3850	2.7493	2.6434	1.4484	2.0575		2.3413	2.3004	3.2812	2.6984	1.4549	2.1365	2.0750
O8	2.3801	2.5981	3.3545	2.6226	1.4599	2.1277	2.3413		1.4539	2.0798	2.1329	2.3176	2.7169	3.2972
C9	3.3907	3.8801	4.2637	3.3130	2.3331	3.0496	2.3004	1.4539		1.1015	1.1086	1.5184	2.1679	2.2154
H10	4.0075	4.3581	4.9784	3.7076	3.2264	4.0194	3.2812	2.0798	1.1015		1.8132	2.2064	2.4418	2.7860
H11	4.1860	4.6601	4.9624	4.2850	2.8746	3.2552	2.6984	2.1329	1.1086	1.8132		2.1646	3.0733	2.4463
C12	3.1192	3.9658	3.7247	2.8541	2.2957	3.1651	1.4549	2.3176	1.5184	2.2064	2.1646		1.1100	1.1001
H13	3.0050	3.8386	3.6293	2.3621	2.7232	3.7631	2.1365	2.7169	2.1679	2.4418	3.0733	1.1100		1.8160
H14	4.1310	5.0308	4.5986	3.8587	3.2355	3.9433	2.0750	3.2972	2.2154	2.7860	2.4463	1.1001	1.8160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	113.192	C1	C5	O7	111.484
C1	C5	O8	107.065	H2	C1	H3	109.513
H2	C1	H4	108.419	H2	C1	C5	110.018
H3	C1	H4	109.422	H3	C1	C5	110.636
H4	C1	C5	108.794	C5	O7	C12	104.502
C5	O8	C9	106.398	H6	C5	O7	106.511
H6	C5	O8	111.252	O7	C5	O8	107.224
O7	C12	C9	101.349	O7	C12	H13	112.109
O7	C12	H14	107.795	O8	C9	H10	108.162
O8	C9	H11	111.983	O8	C9	C12	102.454
C9	C12	H13	110.163	C9	C12	H14	114.627
H10	C9	H11	110.253	H10	C9	C12	113.793
H11	C9	C12	109.997	H13	C12	H14	110.501

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

using model chemistry: LSDA/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	-0.623
2	H	0.229
3	H	0.221
4	H	0.223
5	C	0.145
6	H	0.228
7	O	-0.412
8	O	-0.422
9	C	-0.230
10	H	0.230
11	H	0.219
12	C	-0.259
13	H	0.214
14	H	0.237

	x	y	z	Total
	-0.830	0.235	0.830	1.197
CHELPG
AIM
ESP

	x	y	z
x	8.231	-0.083	-0.358
y	-0.083	5.966	0.077
z	-0.358	0.077	6.136

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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