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	hartrees
Energy at 0K	-306.946141
Energy at 298.15K	-306.956685
HF Energy	-305.902142
Nuclear repulsion energy	263.694053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3037	13.67
2	A	3200	3031	11.29
3	A	3187	3018	31.01
4	A	3154	2987	26.42
5	A	3101	2937	7.38
6	A	3095	2932	62.36
7	A	3065	2903	49.52
8	A	2994	2835	93.18
9	A	1571	1488	1.07
10	A	1555	1472	4.71
11	A	1524	1444	8.63
12	A	1523	1443	2.83
13	A	1482	1404	77.38
14	A	1429	1353	2.83
15	A	1423	1348	9.23
16	A	1406	1332	0.80
17	A	1370	1298	0.60
18	A	1281	1213	18.76
19	A	1256	1190	1.62
20	A	1212	1148	57.29
21	A	1192	1128	25.10
22	A	1163	1102	87.22
23	A	1141	1080	41.01
24	A	1102	1044	22.44
25	A	1076	1019	61.17
26	A	980	929	12.70
27	A	909	861	49.02
28	A	892	845	4.91
29	A	874	827	7.90
30	A	711	674	1.70
31	A	701	664	3.91
32	A	529	501	4.59
33	A	338	320	5.91
34	A	239	227	0.46
35	A	215	204	5.80
36	A	55	52	3.52

Atom	x (Å)	y (Å)	z (Å)
C1	-2.081	0.010	-0.151
H2	-2.620	-0.897	0.127
H3	-2.605	0.877	0.257
H4	-2.041	0.092	-1.237
C5	-0.678	-0.036	0.380
H6	-0.652	-0.133	1.481
O7	0.022	1.138	0.006
O8	0.028	-1.109	-0.191
C9	1.383	-0.764	0.051
H10	2.006	-1.300	-0.664
H11	1.669	-1.047	1.072
C12	1.393	0.764	-0.126
H13	1.734	1.063	-1.120
H14	2.002	1.264	0.633

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0911	1.0908	1.0903	1.5017	2.1738	2.3921	2.3888	3.5555	4.3228	4.0843	3.5556	4.0749	4.3428
H2	1.0911		1.7781	1.7816	2.1399	2.5080	3.3375	2.6762	4.0062	4.7106	4.3950	4.3510	4.9351	5.1274
H3	1.0908	1.7781		1.7788	2.1359	2.5158	2.6518	3.3281	4.3166	5.1808	4.7572	4.0178	4.5555	4.6382
H4	1.0903	1.7816	1.7788		2.1194	3.0606	2.6263	2.6114	3.7571	4.3178	4.5164	3.6715	3.8996	4.6061
C5	1.5017	2.1399	2.1359	2.1194		1.1052	1.4173	1.4058	2.2097	3.1446	2.6473	2.2771	3.0454	2.9890
H6	2.1738	2.5080	2.5158	3.0606	1.1052		2.0605	2.0526	2.5660	3.6096	2.5283	2.7518	3.7269	3.1170
O7	2.3921	3.3375	2.6518	2.6263	1.4173	2.0605		2.2560	2.3389	3.2137	2.9368	1.4274	2.0503	2.0804
O8	2.3888	2.6762	3.3281	2.6114	1.4058	2.0526	2.2560		1.4187	2.0421	2.0719	2.3184	2.9137	3.1945
C9	3.5555	4.0062	4.3166	3.7571	2.2097	2.5660	2.3389	1.4187		1.0896	1.0977	1.5379	2.1983	2.1982
H10	4.3228	4.7106	5.1808	4.3178	3.1446	3.6096	3.2137	2.0421	1.0896		1.7867	2.2188	2.4218	2.8729
H11	4.0843	4.3950	4.7572	4.5164	2.6473	2.5283	2.9368	2.0719	1.0977	1.7867		2.1893	3.0437	2.3758
C12	3.5556	4.3510	4.0178	3.6715	2.2771	2.7518	1.4274	2.3184	1.5379	2.2188	2.1893		1.0922	1.0941
H13	4.0749	4.9351	4.5555	3.8996	3.0454	3.7269	2.0503	2.9137	2.1983	2.4218	3.0437	1.0922		1.7847
H14	4.3428	5.1274	4.6382	4.6061	2.9890	3.1170	2.0804	3.1945	2.1982	2.8729	2.3758	1.0941	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	112.099	C1	C5	O7	110.034
C1	C5	O8	110.447	H2	C1	H3	109.165
H2	C1	H4	109.524	H2	C1	C5	110.241
H3	C1	H4	109.292	H3	C1	C5	109.935
H4	C1	C5	108.667	C5	O7	C12	106.348
C5	O8	C9	102.948	H6	C5	O7	108.907
H6	C5	O8	109.074	O7	C5	O8	106.088
O7	C12	C9	104.080	O7	C12	H13	108.194
O7	C12	H14	110.493	O8	C9	H10	108.289
O8	C9	H11	110.189	O8	C9	C12	103.211
C9	C12	H13	112.294	C9	C12	H14	112.170
H10	C9	H11	109.544	H10	C9	C12	114.141
H11	C9	C12	111.240	H13	C12	H14	109.435

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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