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	hartrees
Energy at 0K	-306.769262
Energy at 298.15K	-306.779829
HF Energy	-305.847622
Nuclear repulsion energy	263.270793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3259	3052	13.59
2	A	3249	3042	11.36
3	A	3227	3022	26.06
4	A	3193	2990	35.24
5	A	3145	2945	6.78
6	A	3128	2929	51.41
7	A	3102	2905	47.84
8	A	3044	2850	88.14
9	A	1586	1485	0.62
10	A	1565	1465	2.27
11	A	1546	1448	3.86
12	A	1544	1446	1.21
13	A	1489	1395	74.44
14	A	1440	1349	3.12
15	A	1426	1336	11.23
16	A	1419	1329	10.72
17	A	1364	1278	1.38
18	A	1283	1201	16.54
19	A	1254	1174	3.23
20	A	1217	1140	64.37
21	A	1188	1112	51.73
22	A	1168	1094	60.70
23	A	1145	1073	46.31
24	A	1093	1024	19.60
25	A	1070	1002	39.55
26	A	985	922	15.55
27	A	926	867	2.40
28	A	908	851	47.59
29	A	862	807	10.85
30	A	708	663	1.79
31	A	664	622	3.65
32	A	510	478	6.44
33	A	340	319	5.39
34	A	256	240	0.75
35	A	236	221	2.33
36	A	56	53	6.09

Atom	x (Å)	y (Å)	z (Å)
C1	-2.063	0.015	-0.220
H2	-2.614	-0.903	-0.024
H3	-2.614	0.858	0.191
H4	-1.946	0.148	-1.293
C5	-0.699	-0.058	0.410
H6	-0.759	-0.195	1.501
O7	0.037	1.142	0.151
O8	0.041	-1.118	-0.160
C9	1.397	-0.738	0.065
H10	2.032	-1.315	-0.602
H11	1.684	-0.929	1.105
C12	1.363	0.757	-0.231
H13	1.510	0.956	-1.294
H14	2.091	1.327	0.347

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0882	1.0877	1.0871	1.5035	2.1688	2.4121	2.3905	3.5519	4.3224	4.0842	3.5051	3.8480	4.3928
H2	1.0882		1.7734	1.7773	2.1374	2.5033	3.3529	2.6677	4.0154	4.7003	4.4438	4.3145	4.6990	5.2200
H3	1.0877	1.7734		1.7749	2.1334	2.5031	2.6667	3.3285	4.3184	5.1901	4.7432	4.0005	4.3846	4.7310
H4	1.0871	1.7773	1.7749		2.1201	3.0542	2.6466	2.6142	3.7151	4.2946	4.4812	3.5280	3.5495	4.5139
C5	1.5035	2.1374	2.1334	2.1201		1.1008	1.4318	1.4141	2.2308	3.1730	2.6308	2.3084	2.9693	3.1159
H6	2.1688	2.5033	2.5031	3.0542	1.1008		2.0606	2.0621	2.6465	3.6697	2.5811	2.8998	3.7801	3.4312
O7	2.4121	3.3529	2.6667	2.6466	1.4318	2.0606		2.2821	2.3220	3.2537	2.8128	1.4323	2.0720	2.0715
O8	2.3905	2.6677	3.3285	2.6142	1.4141	2.0621	2.2821		1.4259	2.0487	2.0820	2.2956	2.7836	3.2311
C9	3.5519	4.0154	4.3184	3.7151	2.2308	2.6465	2.3220	1.4259		1.0872	1.0955	1.5245	2.1751	2.1967
H10	4.3224	4.7003	5.1901	4.2946	3.1730	3.6697	3.2537	2.0487	1.0872		1.7844	2.2093	2.4315	2.8082
H11	4.0842	4.4438	4.7432	4.4812	2.6308	2.5811	2.8128	2.0820	1.0955	1.7844		2.1749	3.0563	2.4147
C12	3.5051	4.3145	4.0005	3.5280	2.3084	2.8998	1.4323	2.2956	1.5245	2.2093	2.1749		1.0920	1.0902
H13	3.8480	4.6990	4.3846	3.5495	2.9693	3.7801	2.0720	2.7836	2.1751	2.4315	3.0563	1.0920		1.7799
H14	4.3928	5.2200	4.7310	4.5139	3.1159	3.4312	2.0715	3.2311	2.1967	2.8082	2.4147	1.0902	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.844	C1	C5	O7	110.495
C1	C5	O8	109.999	H2	C1	H3	109.179
H2	C1	H4	109.580	H2	C1	C5	110.088
H3	C1	H4	109.396	H3	C1	C5	109.795
H4	C1	C5	108.788	C5	O7	C12	107.406
C5	O8	C9	103.533	H6	C5	O7	108.194
H6	C5	O8	109.532	O7	C5	O8	106.623
O7	C12	C9	103.449	O7	C12	H13	109.595
O7	C12	H14	109.662	O8	C9	H10	108.468
O8	C9	H11	110.639	O8	C9	C12	102.115
C9	C12	H13	111.396	C9	C12	H14	113.263
H10	C9	H11	109.677	H10	C9	C12	114.510
H11	C9	C12	111.167	H13	C12	H14	109.305

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

using model chemistry: MP2/6-31G**

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

using model chemistry: MP2/6-31G**

States and conformations

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