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	hartrees
Energy at 0K	-306.705632
Energy at 298.15K	-306.716193
HF Energy	-305.834542
Nuclear repulsion energy	263.027928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3231	3047	12.32
2	A	3221	3037	10.21
3	A	3203	3020	23.83
4	A	3170	2989	33.02
5	A	3123	2945	5.87
6	A	3107	2930	47.79
7	A	3081	2905	44.02
8	A	3028	2855	83.21
9	A	1589	1498	0.31
10	A	1568	1479	2.82
11	A	1549	1461	4.21
12	A	1547	1458	2.04
13	A	1491	1406	74.42
14	A	1446	1363	2.72
15	A	1428	1346	9.89
16	A	1419	1338	8.15
17	A	1367	1289	1.54
18	A	1284	1210	18.69
19	A	1255	1184	3.11
20	A	1218	1149	65.43
21	A	1190	1122	56.91
22	A	1172	1105	55.38
23	A	1149	1083	49.90
24	A	1093	1031	19.75
25	A	1070	1009	40.59
26	A	987	930	15.23
27	A	929	876	2.03
28	A	910	858	47.37
29	A	862	813	10.90
30	A	708	668	1.68
31	A	663	625	3.54
32	A	511	482	6.74
33	A	342	323	5.79
34	A	259	245	0.91
35	A	240	226	2.16
36	A	56	53	6.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.062	0.014	-0.217
H2	-2.615	-0.905	-0.009
H3	-2.614	0.865	0.189
H4	-1.949	0.136	-1.295
C5	-0.698	-0.053	0.411
H6	-0.760	-0.182	1.506
O7	0.034	1.142	0.133
O8	0.038	-1.118	-0.155
C9	1.395	-0.745	0.057
H10	2.017	-1.313	-0.636
H11	1.704	-0.961	1.090
C12	1.368	0.761	-0.216
H13	1.546	0.986	-1.273
H14	2.084	1.318	0.396

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0926	1.0922	1.0913	1.5030	2.1687	2.4067	2.3867	3.5498	4.3103	4.1035	3.5102	3.8831	4.3897
H2	1.0926		1.7810	1.7845	2.1395	2.5022	3.3516	2.6656	4.0136	4.6922	4.4567	4.3221	4.7421	5.2144
H3	1.0922	1.7810		1.7824	2.1355	2.5032	2.6633	3.3290	4.3215	5.1836	4.7731	4.0032	4.4108	4.7243
H4	1.0913	1.7845	1.7824		2.1237	3.0598	2.6432	2.6116	3.7125	4.2736	4.4979	3.5430	3.5963	4.5301
C5	1.5030	2.1395	2.1355	2.1237		1.1045	1.4290	1.4133	2.2324	3.1713	2.6559	2.3069	2.9915	3.1017
H6	2.1687	2.5022	2.5032	3.0598	1.1045		2.0657	2.0672	2.6567	3.6849	2.6169	2.8943	3.7948	3.4010
O7	2.4067	3.3516	2.6633	2.6432	1.4290	2.0657		2.2791	2.3274	3.2487	2.8502	1.4300	2.0706	2.0741
O8	2.3867	2.6656	3.3290	2.6116	1.4133	2.0672	2.2791		1.4233	2.0460	2.0856	2.3027	2.8196	3.2289
C9	3.5498	4.0136	4.3215	3.7125	2.2324	2.6567	2.3274	1.4233		1.0913	1.0994	1.5300	2.1875	2.2007
H10	4.3103	4.6922	5.1836	4.2736	3.1713	3.6849	3.2487	2.0460	1.0913		1.7889	2.2138	2.4319	2.8271
H11	4.1035	4.4567	4.7731	4.4979	2.6559	2.6169	2.8502	2.0856	1.0994	1.7889		2.1863	3.0652	2.4117
C12	3.5102	4.3221	4.0032	3.5430	2.3069	2.8943	1.4300	2.3027	1.5300	2.2138	2.1863		1.0957	1.0946
H13	3.8831	4.7421	4.4108	3.5963	2.9915	3.7948	2.0706	2.8196	2.1875	2.4319	3.0652	1.0957		1.7851
H14	4.3897	5.2144	4.7243	4.5301	3.1017	3.4010	2.0741	3.2289	2.2007	2.8271	2.4117	1.0946	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.637	C1	C5	O7	110.309
C1	C5	O8	109.813	H2	C1	H3	109.207
H2	C1	H4	109.587	H2	C1	C5	110.018
H3	C1	H4	109.432	H3	C1	C5	109.730
H4	C1	C5	108.853	C5	O7	C12	107.580
C5	O8	C9	103.816	H6	C5	O7	108.566
H6	C5	O8	109.769	O7	C5	O8	106.612
O7	C12	C9	103.629	O7	C12	H13	109.419
O7	C12	H14	109.761	O8	C9	H10	108.184
O8	C9	H11	110.874	O8	C9	C12	102.412
C9	C12	H13	111.782	C9	C12	H14	112.916
H10	C9	H11	109.488	H10	C9	C12	114.202
H11	C9	C12	111.449	H13	C12	H14	109.177

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

using model chemistry: MP2/6-31G*

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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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: MP2/6-31G*

States and conformations

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