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	hartrees
Energy at 0K	-305.964360
Energy at 298.15K	-305.974673
Nuclear repulsion energy	260.972341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3120	3056	8.26
2	A	3114	3051	7.94
3	A	3107	3044	11.88
4	A	3066	3003	27.07
5	A	3013	2952	3.79
6	A	2987	2927	51.43
7	A	2959	2899	42.39
8	A	2923	2863	79.25
9	A	1495	1465	1.51
10	A	1474	1444	9.94
11	A	1461	1432	6.60
12	A	1460	1431	8.48
13	A	1403	1374	74.71
14	A	1375	1347	6.73
15	A	1338	1311	0.40
16	A	1332	1305	4.34
17	A	1287	1260	5.38
18	A	1212	1187	18.10
19	A	1182	1158	30.40
20	A	1178	1154	5.71
21	A	1119	1096	52.73
22	A	1108	1085	51.44
23	A	1085	1063	42.85
24	A	1024	1003	39.56
25	A	1007	986	23.32
26	A	952	933	29.03
27	A	887	869	2.62
28	A	837	820	15.88
29	A	801	785	37.56
30	A	684	670	1.54
31	A	630	617	4.04
32	A	481	471	9.98
33	A	330	324	7.24
34	A	245	240	2.25
35	A	216	212	0.96
36	A	52	51	9.70

Atom	x (Å)	y (Å)	z (Å)
C1	-2.048	0.015	-0.261
H2	-2.628	-0.908	-0.096
H3	-2.625	0.873	0.119
H4	-1.877	0.146	-1.341
C5	-0.733	-0.064	0.432
H6	-0.832	-0.200	1.532
O7	0.043	1.151	0.214
O8	0.044	-1.136	-0.125
C9	1.420	-0.724	0.058
H10	2.045	-1.322	-0.620
H11	1.741	-0.885	1.108
C12	1.352	0.756	-0.275
H13	1.417	0.925	-1.367
H14	2.122	1.358	0.235

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.1021	1.1013	1.1018	1.4882	2.1773	2.4271	2.3916	3.5603	4.3208	4.1277	3.4801	3.7493	4.4087
H2	1.1021		1.7932	1.7960	2.1401	2.5257	3.3869	2.6816	4.0553	4.7204	4.5316	4.3175	4.6188	5.2727
H3	1.1013	1.7932		1.7943	2.1342	2.5228	2.6850	3.3495	4.3495	5.2129	4.8093	3.9988	4.3069	4.7733
H4	1.1018	1.7960	1.7943		2.1207	3.0773	2.6676	2.6105	3.6861	4.2497	4.4890	3.4550	3.3849	4.4657
C5	1.4882	2.1401	2.1342	2.1207		1.1128	1.4587	1.4367	2.2832	3.2263	2.6928	2.3499	2.9727	3.1957
H6	2.1773	2.5257	2.5228	3.0773	1.1128		2.0808	2.0952	2.7422	3.7639	2.6956	2.9915	3.8372	3.5824
O7	2.4271	3.3869	2.6850	2.6676	1.4587	2.0808		2.3125	2.3311	3.2890	2.7974	1.4520	2.1058	2.0887
O8	2.3916	2.6816	3.3495	2.6105	1.4367	2.0952	2.3125		1.4487	2.0699	2.1126	2.3053	2.7706	3.2663
C9	3.5603	4.0553	4.3495	3.6861	2.2832	2.7422	2.3311	1.4487		1.0991	1.1098	1.5177	2.1787	2.2035
H10	4.3208	4.7204	5.2129	4.2497	3.2263	3.7639	3.2890	2.0699	1.0991		1.8082	2.2171	2.4498	2.8139
H11	4.1277	4.5316	4.8093	4.4890	2.6928	2.6956	2.7974	2.1126	1.1098	1.8082		2.1806	3.0829	2.4367
C12	3.4801	4.3175	3.9988	3.4550	2.3499	2.9915	1.4520	2.3053	1.5177	2.2171	2.1806		1.1064	1.1021
H13	3.7493	4.6188	4.3069	3.3849	2.9727	3.8372	2.1058	2.7706	2.1787	2.4498	3.0829	1.1064		1.8022
H14	4.4087	5.2727	4.7733	4.4657	3.1957	3.5824	2.0887	3.2663	2.2035	2.8139	2.4367	1.1021	1.8022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	112.871	C1	C5	O7	110.888
C1	C5	O8	109.686	H2	C1	H3	108.942
H2	C1	H4	109.151	H2	C1	C5	110.538
H3	C1	H4	109.055	H3	C1	C5	110.113
H4	C1	C5	109.017	C5	O7	C12	107.669
C5	O8	C9	104.612	H6	C5	O7	107.266
H6	C5	O8	109.880	O7	C5	O8	106.000
O7	C12	C9	103.416	O7	C12	H13	110.059
O7	C12	H14	108.954	O8	C9	H10	107.884
O8	C9	H11	110.630	O8	C9	C12	101.976
C9	C12	H13	111.290	C9	C12	H14	113.566
H10	C9	H11	109.897	H10	C9	C12	114.892
H11	C9	C12	111.237	H13	C12	H14	109.378

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.481
2	H	0.182
3	H	0.186
4	H	0.186
5	C	0.193
6	H	0.165
7	O	-0.451
8	O	-0.433
9	C	-0.161
10	H	0.196
11	H	0.176
12	C	-0.121
13	H	0.180
14	H	0.182

	x	y	z	Total
	1.208	-0.287	0.155	1.251
CHELPG
AIM
ESP

	x	y	z
x	8.748	0.066	-0.282
y	0.066	6.377	-0.104
z	-0.282	-0.104	6.483

<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/6-31G

States and conformations

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