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	hartrees
Energy at 0K	-306.321721
Energy at 298.15K	-306.331915
HF Energy	-305.739476
Nuclear repulsion energy	254.339185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3057	41.59
2	A	3162	3045	30.29
3	A	3155	3039	22.07
4	A	3147	3031	21.23
5	A	3074	2961	49.78
6	A	3062	2949	85.78
7	A	3058	2945	44.39
8	A	3040	2928	16.62
9	A	1545	1488	0.45
10	A	1534	1477	3.91
11	A	1524	1468	6.10
12	A	1522	1466	7.05
13	A	1458	1404	26.62
14	A	1416	1364	28.85
15	A	1374	1323	2.62
16	A	1367	1316	1.57
17	A	1312	1263	6.51
18	A	1225	1180	9.56
19	A	1186	1143	3.01
20	A	1181	1137	20.11
21	A	1130	1088	3.40
22	A	1111	1070	97.35
23	A	1105	1064	25.68
24	A	997	960	16.46
25	A	982	945	21.10
26	A	919	886	52.39
27	A	871	839	3.89
28	A	798	768	28.50
29	A	763	735	31.64
30	A	656	632	1.19
31	A	629	605	5.75
32	A	468	451	12.55
33	A	326	314	8.04
34	A	226	217	1.20
35	A	210	203	1.55
36	A	45	43	16.80

Atom	x (Å)	y (Å)	z (Å)
C1	2.098	0.013	0.296
H2	2.672	-0.917	0.140
H3	2.685	0.868	-0.079
H4	1.904	0.146	1.372
C5	0.768	-0.064	-0.456
H6	0.882	-0.188	-1.550
O7	-0.045	1.184	-0.246
O8	-0.048	-1.179	0.086
C9	-1.474	-0.738	-0.037
H10	-2.048	-1.331	0.688
H11	-1.834	-0.912	-1.067
C12	-1.386	0.780	0.298
H13	-1.401	0.958	1.386
H14	-2.146	1.390	-0.212

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.1037	1.1030	1.1016	1.5298	2.2194	2.5019	2.4638	3.6653	4.3754	4.2636	3.5676	3.7851	4.4908
H2	1.1037		1.7982	1.7997	2.1697	2.5670	3.4565	2.7338	4.1541	4.7696	4.6655	4.4016	4.6544	5.3537
H3	1.1030	1.7982		1.7989	2.1644	2.5550	2.7534	3.4187	4.4585	5.2744	4.9569	4.0894	4.3417	4.8607
H4	1.1016	1.7997	1.7989		2.1632	3.1138	2.7383	2.6877	3.7662	4.2741	4.5881	3.5190	3.4041	4.5237
C5	1.5298	2.1697	2.1644	2.1632		1.1064	1.5046	1.4845	2.3787	3.2929	2.8048	2.4337	3.0243	3.2661
H6	2.2194	2.5670	2.5550	3.1138	1.1064		2.1077	2.1271	2.8536	3.8599	2.8528	3.0819	3.8920	3.6675
O7	2.5019	3.4565	2.7534	2.7383	1.5046	2.1077		2.3862	2.4040	3.3478	2.8758	1.5027	2.1340	2.1111
O8	2.4638	2.7338	3.4187	2.6877	1.4845	2.1271	2.3862		1.4975	2.0934	2.1427	2.3813	2.8437	3.3300
C9	3.6653	4.1541	4.4585	3.7662	2.3787	2.8536	2.4040	1.4975		1.0986	1.1048	1.5568	2.2153	2.2384
H10	4.3754	4.7696	5.2744	4.2741	3.2929	3.8599	3.3478	2.0934	1.0986		1.8170	2.2460	2.4788	2.8680
H11	4.2636	4.6655	4.9569	4.5881	2.8048	2.8528	2.8758	2.1427	1.1048	1.8170		2.2200	3.1151	2.4759
C12	3.5676	4.4016	4.0894	3.5190	2.4337	3.0819	1.5027	2.3813	1.5568	2.2460	2.2200		1.1023	1.1002
H13	3.7851	4.6544	4.3417	3.4041	3.0243	3.8920	2.1340	2.8437	2.2153	2.4788	3.1151	1.1023		1.8152
H14	4.4908	5.3537	4.8607	4.5237	3.2661	3.6675	2.1111	3.3300	2.2384	2.8680	2.4759	1.1002	1.8152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	113.714	C1	C5	O7	111.077
C1	C5	O8	109.640	H2	C1	H3	109.147
H2	C1	H4	109.390	H2	C1	C5	109.897
H3	C1	H4	109.364	H3	C1	C5	109.520
H4	C1	C5	109.508	C5	O7	C12	108.049
C5	O8	C9	105.815	H6	C5	O7	106.655
H6	C5	O8	109.501	O7	C5	O8	105.930
O7	C12	C9	103.572	O7	C12	H13	109.042
O7	C12	H14	107.390	O8	C9	H10	106.468
O8	C9	H11	109.927	O8	C9	C12	102.442
C9	C12	H13	111.698	C9	C12	H14	113.696
H10	C9	H11	111.104	H10	C9	C12	114.421
H11	C9	C12	111.923	H13	C12	H14	111.001

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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