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	hartrees
Energy at 0K	-307.670688
Energy at 298.15K	-307.680877
Nuclear repulsion energy	260.041405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3049	3040	20.99
2	A	3042	3033	15.83
3	A	3031	3022	30.85
4	A	2978	2969	50.07
5	A	2977	2968	7.86
6	A	2947	2938	73.68
7	A	2909	2900	59.33
8	A	2835	2826	99.92
9	A	1491	1486	0.32
10	A	1475	1471	1.74
11	A	1452	1448	2.18
12	A	1451	1447	4.70
13	A	1386	1382	60.69
14	A	1362	1358	2.11
15	A	1341	1337	6.45
16	A	1325	1321	0.63
17	A	1292	1288	1.39
18	A	1209	1205	10.48
19	A	1185	1181	1.25
20	A	1135	1131	15.25
21	A	1111	1107	21.44
22	A	1080	1076	85.43
23	A	1065	1062	57.78
24	A	988	985	36.55
25	A	967	964	70.02
26	A	907	904	12.97
27	A	845	843	6.30
28	A	815	813	27.89
29	A	797	795	43.67
30	A	675	673	0.67
31	A	661	659	2.43
32	A	490	488	3.32
33	A	319	318	5.84
34	A	207	206	0.50
35	A	191	190	4.20
36	A	42	42	3.40

Atom	x (Å)	y (Å)	z (Å)
C1	-2.107	0.011	-0.185
H2	-2.658	-0.896	0.086
H3	-2.642	0.880	0.215
H4	-2.054	0.092	-1.276
C5	-0.706	-0.039	0.395
H6	-0.727	-0.137	1.499
O7	0.030	1.156	0.054
O8	0.033	-1.130	-0.160
C9	1.412	-0.766	0.041
H10	2.017	-1.307	-0.692
H11	1.740	-1.039	1.058
C12	1.410	0.770	-0.156
H13	1.701	1.060	-1.175
H14	2.062	1.284	0.564

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0959	1.0955	1.0951	1.5165	2.1824	2.4361	2.4256	3.6107	4.3595	4.1769	3.5982	4.0718	4.4228
H2	1.0959		1.7805	1.7877	2.1541	2.5107	3.3824	2.7128	4.0727	4.7578	4.5067	4.4032	4.9416	5.2215
H3	1.0955	1.7805		1.7853	2.1502	2.5204	2.6915	3.3670	4.3788	5.2263	4.8576	4.0709	4.5635	4.7347
H4	1.0951	1.7877	1.7853		2.1503	3.0846	2.6917	2.6639	3.8058	4.3446	4.5958	3.7034	3.8793	4.6636
C5	1.5165	2.1541	2.1502	2.1503		1.1092	1.4445	1.4301	2.2673	3.1950	2.7249	2.3320	3.0767	3.0731
H6	2.1824	2.5107	2.5204	3.0846	1.1092		2.0819	2.0775	2.6640	3.7016	2.6636	2.8516	3.8050	3.2672
O7	2.4361	3.3824	2.6915	2.6917	1.4445	2.0819		2.2961	2.3668	3.2512	2.9579	1.4484	2.0761	2.0988
O8	2.4256	2.7128	3.3670	2.6639	1.4301	2.0775	2.2961		1.4403	2.0621	2.0986	2.3466	2.9341	3.2354
C9	3.6107	4.0727	4.3788	3.8058	2.2673	2.6640	2.3668	1.4403		1.0940	1.1028	1.5481	2.2124	2.2128
H10	4.3595	4.7578	5.2263	4.3446	3.1950	3.7016	3.2512	2.0621	1.0940		1.7918	2.2288	2.4362	2.8792
H11	4.1769	4.5067	4.8576	4.5958	2.7249	2.6636	2.9579	2.0986	1.1028	1.7918		2.2035	3.0647	2.3967
C12	3.5982	4.4032	4.0709	3.7034	2.3320	2.8516	1.4484	2.3466	1.5481	2.2288	2.2035		1.0980	1.0989
H13	4.0718	4.9416	4.5635	3.8793	3.0767	3.8050	2.0761	2.9341	2.2124	2.4362	3.0647	1.0980		1.7895
H14	4.4228	5.2215	4.7347	4.6636	3.0731	3.2672	2.0988	3.2354	2.2128	2.8792	2.3967	1.0989	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.495	C1	C5	O7	110.698
C1	C5	O8	110.778	H2	C1	H3	108.685
H2	C1	H4	109.357	H2	C1	C5	110.042
H3	C1	H4	109.170	H3	C1	C5	109.767
H4	C1	C5	109.796	C5	O7	C12	107.437
C5	O8	C9	104.357	H6	C5	O7	108.515
H6	C5	O8	109.153	O7	C5	O8	106.024
O7	C12	C9	104.295	O7	C12	H13	108.447
O7	C12	H14	110.204	O8	C9	H10	108.138
O8	C9	H11	110.516	O8	C9	C12	103.428
C9	C12	H13	112.345	C9	C12	H14	112.317
H10	C9	H11	109.298	H10	C9	C12	113.937
H11	C9	C12	111.339	H13	C12	H14	109.085

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

using model chemistry: BLYP/cc-pVTZ

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	-0.246
2	H	0.088
3	H	0.091
4	H	0.085
5	C	0.270
6	H	0.023
7	O	-0.310
8	O	-0.292
9	C	-0.011
10	H	0.081
11	H	0.063
12	C	0.031
13	H	0.067
14	H	0.060

	x	y	z	Total
	0.996	-0.228	0.432	1.109
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	153.375
(<r²>)^1/2	12.384

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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