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	hartrees
Energy at 0K	-306.763998
Energy at 298.15K	-306.774587
HF Energy	-305.835607
Nuclear repulsion energy	263.402090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3018	15.32
2	A	3208	3010	12.58
3	A	3194	2997	26.57
4	A	3159	2965	37.01
5	A	3121	2928	6.61
6	A	3108	2917	46.56
7	A	3079	2889	44.45
8	A	3029	2842	80.19
9	A	1594	1496	0.15
10	A	1575	1478	3.28
11	A	1547	1451	6.14
12	A	1545	1450	1.57
13	A	1507	1414	80.23
14	A	1453	1363	2.06
15	A	1444	1355	13.27
16	A	1431	1342	5.79
17	A	1382	1297	1.15
18	A	1296	1216	22.85
19	A	1267	1188	2.38
20	A	1234	1158	117.11
21	A	1209	1134	37.83
22	A	1187	1114	67.98
23	A	1167	1095	26.63
24	A	1122	1053	15.07
25	A	1096	1028	36.56
26	A	994	932	12.95
27	A	935	877	20.52
28	A	927	869	24.91
29	A	880	826	6.48
30	A	723	678	1.97
31	A	682	640	3.68
32	A	518	486	6.74
33	A	343	322	5.78
34	A	251	236	0.54
35	A	229	214	3.33
36	A	56	52	6.16

Atom	x (Å)	y (Å)	z (Å)
C1	-2.062	0.013	-0.227
H2	-2.615	-0.908	-0.021
H3	-2.620	0.864	0.171
H4	-1.942	0.131	-1.306
C5	-0.699	-0.048	0.412
H6	-0.783	-0.170	1.507
O7	0.036	1.135	0.139
O8	0.039	-1.117	-0.131
C9	1.395	-0.748	0.039
H10	2.000	-1.304	-0.680
H11	1.745	-0.977	1.056
C12	1.363	0.766	-0.212
H13	1.547	1.005	-1.267
H14	2.081	1.316	0.405

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0934	1.0930	1.0924	1.5069	2.1624	2.4070	2.3874	3.5495	4.2934	4.1375	3.5072	3.8845	4.3892
H2	1.0934		1.7820	1.7848	2.1443	2.4970	3.3502	2.6646	4.0135	4.6781	4.4913	4.3204	4.7468	5.2135
H3	1.0930	1.7820		1.7832	2.1405	2.4954	2.6696	3.3295	4.3283	5.1733	4.8192	4.0030	4.4104	4.7289
H4	1.0924	1.7848	1.7832		2.1286	3.0576	2.6473	2.6200	3.7038	4.2410	4.5171	3.5391	3.5969	4.5300
C5	1.5069	2.1443	2.1405	2.1286		1.1049	1.4191	1.4074	2.2385	3.1700	2.6923	2.3033	2.9949	3.0966
H6	2.1624	2.4970	2.4954	3.0576	1.1049		2.0597	2.0629	2.6892	3.7165	2.6916	2.9048	3.8079	3.4092
O7	2.4070	3.3502	2.6696	2.6473	1.4191	2.0597		2.2681	2.3243	3.2366	2.8679	1.4221	2.0683	2.0709
O8	2.3874	2.6646	3.3295	2.6200	1.4074	2.0629	2.2681		1.4155	2.0444	2.0829	2.3035	2.8398	3.2210
C9	3.5495	4.0135	4.3283	3.7038	2.2385	2.6892	2.3243	1.4155		1.0919	1.1001	1.5349	2.1905	2.2049
H10	4.2934	4.6781	5.1733	4.2410	3.1700	3.7165	3.2366	2.0444	1.0919		1.7854	2.2155	2.4242	2.8366
H11	4.1375	4.4913	4.8192	4.5171	2.6923	2.6916	2.8679	2.0829	1.1001	1.7854		2.1898	3.0601	2.4071
C12	3.5072	4.3204	4.0030	3.5391	2.3033	2.9048	1.4221	2.3035	1.5349	2.2155	2.1898		1.0964	1.0950
H13	3.8845	4.7468	4.4104	3.5969	2.9949	3.8079	2.0683	2.8398	2.1905	2.4242	3.0601	1.0964		1.7828
H14	4.3892	5.2135	4.7289	4.5300	3.0966	3.4092	2.0709	3.2210	2.2049	2.8366	2.4071	1.0950	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.835	C1	C5	O7	110.660
C1	C5	O8	109.965	H2	C1	H3	109.183
H2	C1	H4	109.476	H2	C1	C5	110.085
H3	C1	H4	109.363	H3	C1	C5	109.813
H4	C1	C5	108.906	C5	O7	C12	108.317
C5	O8	C9	104.934	H6	C5	O7	108.746
H6	C5	O8	109.814	O7	C5	O8	106.725
O7	C12	C9	103.564	O7	C12	H13	109.742
O7	C12	H14	110.036	O8	C9	H10	108.558
O8	C9	H11	111.170	O8	C9	C12	102.587
C9	C12	H13	111.623	C9	C12	H14	112.879
H10	C9	H11	109.084	H10	C9	C12	113.941
H11	C9	C12	111.348	H13	C12	H14	108.883

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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