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	hartrees
Energy at 0K	-307.557115
Energy at 298.15K	-307.567355
Nuclear repulsion energy	259.820504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3072	3049	21.28
2	A	3063	3039	17.71
3	A	3042	3019	32.61
4	A	2989	2966	20.53
5	A	2987	2964	49.23
6	A	2944	2922	69.16
7	A	2912	2889	63.36
8	A	2847	2825	107.47
9	A	1503	1491	1.45
10	A	1484	1473	1.21
11	A	1465	1453	1.07
12	A	1464	1453	3.21
13	A	1398	1387	60.82
14	A	1368	1357	7.21
15	A	1354	1344	13.42
16	A	1341	1331	8.85
17	A	1295	1285	1.42
18	A	1212	1202	13.78
19	A	1185	1176	0.64
20	A	1140	1131	19.48
21	A	1109	1101	32.23
22	A	1095	1087	106.08
23	A	1071	1063	54.38
24	A	1004	996	27.58
25	A	985	977	58.07
26	A	912	905	10.20
27	A	863	857	5.26
28	A	830	824	39.11
29	A	800	794	25.17
30	A	677	671	1.36
31	A	648	643	2.00
32	A	483	479	4.31
33	A	323	320	5.25
34	A	228	226	0.72
35	A	211	209	2.64
36	A	49	49	4.26

Atom	x (Å)	y (Å)	z (Å)
C1	-2.092	0.014	-0.222
H2	-2.656	-0.905	0.000
H3	-2.648	0.874	0.179
H4	-1.994	0.124	-1.312
C5	-0.710	-0.051	0.413
H6	-0.777	-0.172	1.518
O7	0.038	1.159	0.135
O8	0.039	-1.136	-0.145
C9	1.414	-0.754	0.049
H10	2.034	-1.325	-0.658
H11	1.746	-0.975	1.084
C12	1.386	0.770	-0.216
H13	1.574	1.005	-1.279
H14	2.112	1.324	0.404

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.1006	1.0999	1.0995	1.5225	2.1893	2.4450	2.4229	3.5998	4.3594	4.1727	3.5594	3.9418	4.4478
H2	1.1006		1.7878	1.7941	2.1650	2.5243	3.3966	2.7092	4.0736	4.7544	4.5337	4.3806	4.8140	5.2787
H3	1.0999	1.7878		1.7917	2.1604	2.5278	2.7016	3.3713	4.3784	5.2396	4.8520	4.0546	4.4683	4.7863
H4	1.0995	1.7941	1.7917		2.1573	3.0948	2.7008	2.6620	3.7740	4.3305	4.5755	3.6117	3.6751	4.6090
C5	1.5225	2.1650	2.1604	2.1573		1.1143	1.4495	1.4311	2.2668	3.2085	2.7080	2.3367	3.0317	3.1388
H6	2.1893	2.5243	2.5278	3.0948	1.1143		2.0856	2.0879	2.7016	3.7367	2.6824	2.9276	3.8387	3.4387
O7	2.4450	3.3966	2.7016	2.7008	1.4495	2.0856		2.3119	2.3584	3.2834	2.8931	1.4462	2.0934	2.0975
O8	2.4229	2.7092	3.3713	2.6620	1.4311	2.0879	2.3119		1.4402	2.0681	2.1087	2.3344	2.8677	3.2630
C9	3.5998	4.0736	4.3784	3.7740	2.2668	2.7016	2.3584	1.4402		1.0994	1.1090	1.5468	2.2097	2.2207
H10	4.3594	4.7544	5.2396	4.3305	3.2085	3.7367	3.2834	2.0681	1.0994		1.7998	2.2363	2.4543	2.8548
H11	4.1727	4.5337	4.8520	4.5755	2.7080	2.6824	2.8931	2.1087	1.1090	1.7998		2.2049	3.0876	2.4253
C12	3.5594	4.3806	4.0546	3.6117	2.3367	2.9276	1.4462	2.3344	1.5468	2.2363	2.2049		1.1054	1.1037
H13	3.9418	4.8140	4.4683	3.6751	3.0317	3.8387	2.0934	2.8677	2.2097	2.4543	3.0876	1.1054		1.7959
H14	4.4478	5.2787	4.7863	4.6090	3.1388	3.4387	2.0975	3.2630	2.2207	2.8548	2.4253	1.1037	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.320	C1	C5	O7	110.683
C1	C5	O8	110.194	H2	C1	H3	108.675
H2	C1	H4	109.271	H2	C1	C5	110.214
H3	C1	H4	109.099	H3	C1	C5	109.888
H4	C1	C5	109.669	C5	O7	C12	107.605
C5	O8	C9	104.272	H6	C5	O7	108.169
H6	C5	O8	109.594	O7	C5	O8	106.754
O7	C12	C9	103.942	O7	C12	H13	109.533
O7	C12	H14	109.964	O8	C9	H10	108.299
O8	C9	H11	110.965	O8	C9	C12	102.745
C9	C12	H13	111.771	C9	C12	H14	112.754
H10	C9	H11	109.172	H10	C9	C12	114.306
H11	C9	C12	111.181	H13	C12	H14	108.771

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

using model chemistry: BLYP/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	-0.293
2	H	0.102
3	H	0.105
4	H	0.109
5	C	0.395
6	H	0.057
7	O	-0.478
8	O	-0.455
9	C	0.034
10	H	0.097
11	H	0.084
12	C	0.070
13	H	0.089
14	H	0.085

	x	y	z	Total
	0.967	-0.249	0.244	1.028
CHELPG
AIM
ESP

<r²>	152.552
(<r²>)^1/2	12.351

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

using model chemistry: BLYP/6-31G**

States and conformations

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