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	hartrees
Energy at 0K	-306.893888
Energy at 298.15K	-306.904446
HF Energy	-305.913995
Nuclear repulsion energy	263.485521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3041	13.92
2	A	3194	3035	11.44
3	A	3181	3023	28.93
4	A	3146	2989	29.55
5	A	3094	2940	6.87
6	A	3090	2936	60.02
7	A	3058	2906	50.43
8	A	2993	2844	91.08
9	A	1554	1476	0.52
10	A	1536	1459	4.59
11	A	1508	1433	4.55
12	A	1506	1431	5.93
13	A	1474	1400	73.63
14	A	1422	1351	11.84
15	A	1409	1339	1.38
16	A	1402	1332	1.58
17	A	1368	1300	0.20
18	A	1275	1211	19.91
19	A	1248	1186	1.60
20	A	1205	1145	71.97
21	A	1183	1124	23.29
22	A	1156	1098	73.87
23	A	1134	1077	40.37
24	A	1099	1044	23.12
25	A	1072	1019	54.60
26	A	974	926	13.21
27	A	905	860	43.73
28	A	894	849	9.08
29	A	869	826	9.27
30	A	707	672	2.28
31	A	691	656	3.37
32	A	524	498	4.70
33	A	336	319	5.29
34	A	236	224	0.93
35	A	218	207	4.30
36	A	65	61	3.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.082	0.012	-0.160
H2	-2.622	-0.899	0.110
H3	-2.605	0.877	0.253
H4	-2.032	0.101	-1.246
C5	-0.679	-0.041	0.384
H6	-0.666	-0.149	1.483
O7	0.024	1.141	0.029
O8	0.031	-1.110	-0.193
C9	1.384	-0.762	0.058
H10	2.017	-1.304	-0.644
H11	1.659	-1.025	1.088
C12	1.391	0.763	-0.144
H13	1.702	1.039	-1.155
H14	2.027	1.273	0.587

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0923	1.0919	1.0915	1.5054	2.1751	2.3971	2.3919	3.5573	4.3322	4.0778	3.5532	4.0451	4.3622
H2	1.0923		1.7819	1.7850	2.1415	2.5055	3.3419	2.6780	4.0081	4.7172	4.3935	4.3508	4.9039	5.1531
H3	1.0919	1.7819		1.7821	2.1372	2.5153	2.6514	3.3302	4.3161	5.1886	4.7432	4.0166	4.5335	4.6600
H4	1.0915	1.7850	1.7821		2.1236	3.0630	2.6338	2.6137	3.7569	4.3286	4.5108	3.6568	3.8512	4.6054
C5	1.5054	2.1415	2.1372	2.1236		1.1046	1.4201	1.4067	2.2091	3.1499	2.6330	2.2826	3.0337	3.0147
H6	2.1751	2.5055	2.5153	3.0630	1.1046		2.0623	2.0539	2.5702	3.6134	2.5158	2.7764	3.7385	3.1738
O7	2.3971	3.3419	2.6514	2.6338	1.4201	2.0623		2.2613	2.3382	3.2251	2.9131	1.4283	2.0560	2.0828
O8	2.3919	2.6780	3.3302	2.6137	1.4067	2.0539	2.2613		1.4193	2.0463	2.0741	2.3153	2.8869	3.2047
C9	3.5573	4.0081	4.3161	3.7569	2.2091	2.5702	2.3382	1.4193		1.0901	1.0986	1.5383	2.1942	2.1986
H10	4.3322	4.7172	5.1886	4.3286	3.1499	3.6134	3.2251	2.0463	1.0901		1.7906	2.2174	2.4188	2.8562
H11	4.0778	4.3935	4.7432	4.5108	2.6330	2.5158	2.9131	2.0741	1.0986	1.7906		2.1884	3.0488	2.3809
C12	3.5532	4.3508	4.0166	3.6568	2.2826	2.7764	1.4283	2.3153	1.5383	2.2174	2.1884		1.0932	1.0946
H13	4.0451	4.9039	4.5335	3.8512	3.0337	3.7385	2.0560	2.8869	2.1942	2.4188	3.0488	1.0932		1.7875
H14	4.3622	5.1531	4.6600	4.6054	3.0147	3.1738	2.0828	3.2047	2.1986	2.8562	2.3809	1.0946	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.974	C1	C5	O7	110.011
C1	C5	O8	110.391	H2	C1	H3	109.339
H2	C1	H4	109.648	H2	C1	C5	110.035
H3	C1	H4	109.416	H3	C1	C5	109.715
H4	C1	C5	108.672	C5	O7	C12	106.520
C5	O8	C9	102.827	H6	C5	O7	108.896
H6	C5	O8	109.148	O7	C5	O8	106.244
O7	C12	C9	103.971	O7	C12	H13	108.521
O7	C12	H14	110.596	O8	C9	H10	108.546
O8	C9	H11	110.264	O8	C9	C12	102.966
C9	C12	H13	111.873	C9	C12	H14	112.141
H10	C9	H11	109.790	H10	C9	C12	113.958
H11	C9	C12	111.080	H13	C12	H14	109.572

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

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

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: MP2/6-311G**

States and conformations

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