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	hartrees
Energy at 0K	-304.734335
Energy at 298.15K	-304.744735
HF Energy	-304.136743
Nuclear repulsion energy	257.922459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3038	28.44
2	A	3191	3035	21.71
3	A	3189	3033	13.55
4	A	3181	3026	13.28
5	A	3108	2957	9.55
6	A	3105	2953	54.81
7	A	3097	2947	42.61
8	A	3093	2942	24.72
9	A	1605	1527	0.32
10	A	1598	1520	2.49
11	A	1593	1515	2.13
12	A	1587	1510	3.63
13	A	1491	1418	12.49
14	A	1456	1385	38.90
15	A	1415	1346	1.29
16	A	1409	1341	17.53
17	A	1341	1276	8.28
18	A	1263	1201	5.84
19	A	1229	1169	0.20
20	A	1181	1124	19.21
21	A	1162	1106	9.30
22	A	1143	1088	31.03
23	A	1123	1068	112.13
24	A	1041	991	14.32
25	A	991	943	33.61
26	A	932	887	12.49
27	A	919	874	3.90
28	A	838	797	27.20
29	A	814	774	9.97
30	A	682	649	2.54
31	A	622	592	5.46
32	A	459	437	16.04
33	A	346	330	2.52
34	A	251	239	0.83
35	A	233	222	0.66
36	A	52	49	12.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.986	0.006	0.394
H2	2.551	-0.928	0.345
H3	2.621	0.839	0.082
H4	1.650	0.168	1.421
C5	0.761	-0.079	-0.504
H6	1.008	-0.207	-1.562
O7	-0.051	1.157	-0.404
O8	-0.069	-1.201	-0.021
C9	-1.462	-0.688	0.016
H10	-2.001	-1.265	0.767
H11	-1.943	-0.775	-0.964
C12	-1.252	0.791	0.389
H13	-1.064	0.893	1.463
H14	-2.063	1.448	0.075

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0930	1.0928	1.0928	1.5207	2.1969	2.4710	2.4194	3.5366	4.2009	4.2298	3.3311	3.3505	4.3098
H2	1.0930		1.7878	1.7809	2.1547	2.5559	3.4165	2.6593	4.0327	4.5835	4.6831	4.1731	4.1985	5.1969
H3	1.0928	1.7878		1.7852	2.1551	2.5294	2.7338	3.3780	4.3590	5.1241	4.9529	3.8851	3.9351	4.7237
H4	1.0928	1.7809	1.7852		2.1348	3.0745	2.6836	2.6290	3.5198	3.9761	4.4149	3.1423	2.8089	4.1521
C5	1.5207	2.1547	2.1551	2.1348		1.0941	1.4818	1.4774	2.3624	3.2637	2.8303	2.3677	2.8536	3.2628
H6	2.1969	2.5559	2.5294	3.0745	1.0941		2.0791	2.1269	2.9700	3.9496	3.0647	3.1482	3.8281	3.8545
O7	2.4710	3.4165	2.7338	2.6836	1.4818	2.0791		2.3891	2.3598	3.3227	2.7618	1.4852	2.1407	2.0896
O8	2.4194	2.6593	3.3780	2.6290	1.4774	2.1269	2.3891		1.4847	2.0874	2.1409	2.3530	2.7526	3.3177
C9	3.5366	4.0327	4.3590	3.5198	2.3624	2.9700	2.3598	1.4847		1.0904	1.0954	1.5392	2.1794	2.2197
H10	4.2009	4.5835	5.1241	3.9761	3.2637	3.9496	3.3227	2.0874	1.0904		1.8002	2.2205	2.4530	2.8006
H11	4.2298	4.6831	4.9529	4.4149	2.8303	3.0647	2.7618	2.1409	1.0954	1.8002		2.1820	3.0734	2.4570
C12	3.3311	4.1731	3.8851	3.1423	2.3677	3.1482	1.4852	2.3530	1.5392	2.2205	2.1820		1.0952	1.0905
H13	3.3505	4.1985	3.9351	2.8089	2.8536	3.8281	2.1407	2.7526	2.1794	2.4530	3.0734	1.0952		1.7985
H14	4.3098	5.1969	4.7237	4.1521	3.2628	3.8545	2.0896	3.3177	2.2197	2.8006	2.4570	1.0905	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	113.310	C1	C5	O7	110.763
C1	C5	O8	107.593	H2	C1	H3	109.752
H2	C1	H4	109.126	H2	C1	C5	109.968
H3	C1	H4	109.529	H3	C1	C5	110.014
H4	C1	C5	108.428	C5	O7	C12	105.883
C5	O8	C9	105.798	H6	C5	O7	106.660
H6	C5	O8	110.721	O7	C5	O8	107.679
O7	C12	C9	102.549	O7	C12	H13	111.217
O7	C12	H14	107.449	O8	C9	H10	107.326
O8	C9	H11	111.262	O8	C9	C12	102.166
C9	C12	H13	110.509	C9	C12	H14	114.064
H10	C9	H11	110.895	H10	C9	C12	114.135
H11	C9	C12	110.698	H13	C12	H14	110.742

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

using model chemistry: MP2/3-21G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C4H8O2 (1,3-Dioxolane, 2-methyl-)

using model chemistry: MP2/3-21G*

States and conformations

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