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	hartrees
Energy at 0K	-305.980752
Energy at 298.15K
Nuclear repulsion energy	258.805127

Atom	x (Å)	y (Å)	z (Å)
C1	2.008	0.008	0.361
H2	2.577	-0.922	0.275
H3	2.629	0.847	0.035
H4	1.719	0.155	1.404
C5	0.754	-0.070	-0.487
H6	0.971	-0.191	-1.554
O7	-0.050	1.156	-0.348
O8	-0.058	-1.181	0.010
C9	-1.450	-0.705	-0.000
H10	-1.999	-1.280	0.746
H11	-1.906	-0.822	-0.991
C12	-1.288	0.781	0.355
H13	-1.183	0.910	1.438
H14	-2.094	1.411	-0.025

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0935	1.0930	1.0927	1.5165	2.1876	2.4609	2.4099	3.5496	4.2275	4.2238	3.3853	3.4866	4.3524
H2	1.0935		1.7855	1.7808	2.1519	2.5420	3.4066	2.6610	4.0421	4.6144	4.6595	4.2238	4.3408	5.2293
H3	1.0930	1.7855		1.7841	2.1517	2.5202	2.7236	3.3662	4.3643	5.1432	4.9400	3.9302	4.0624	4.7567
H4	1.0927	1.7808	1.7841		2.1351	3.0714	2.6831	2.6242	3.5710	4.0397	4.4531	3.2451	2.9981	4.2608
C5	1.5165	2.1519	2.1517	2.1351		1.0961	1.4725	1.4624	2.3443	3.2501	2.8095	2.3663	2.9010	3.2424
H6	2.1876	2.5420	2.5202	3.0714	1.0961		2.0764	2.1177	2.9223	3.9114	2.9987	3.1129	3.8478	3.7807
O7	2.4609	3.4066	2.7236	2.6831	1.4725	2.0764		2.3638	2.3548	3.3065	2.7876	1.4719	2.1294	2.0849
O8	2.4099	2.6610	3.3662	2.6242	1.4624	2.1177	2.3638		1.4708	2.0785	2.1319	2.3406	2.7706	3.2953
C9	3.5496	4.0421	4.3643	3.5710	2.3443	2.9223	2.3548	1.4708		1.0904	1.0970	1.5364	2.1792	2.2115
H10	4.2275	4.6144	5.1432	4.0397	3.2501	3.9114	3.3065	2.0785	1.0904		1.7984	2.2156	2.4382	2.8007
H11	4.2238	4.6595	4.9400	4.4531	2.8095	2.9987	2.7876	2.1319	1.0970	1.7984		2.1822	3.0697	2.4393
C12	3.3853	4.2238	3.9302	3.2451	2.3663	3.1129	1.4719	2.3406	1.5364	2.2156	2.1822		1.0961	1.0912
H13	3.4866	4.3408	4.0624	2.9981	2.9010	3.8478	2.1294	2.7706	2.1792	2.4382	3.0697	1.0961		1.7951
H14	4.3524	5.2293	4.7567	4.2608	3.2424	3.7807	2.0849	3.2953	2.2115	2.8007	2.4393	1.0912	1.7951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	112.729	C1	C5	O7	110.829
C1	C5	O8	107.983	H2	C1	H3	109.500
H2	C1	H4	109.088	H2	C1	C5	110.019
H3	C1	H4	109.430	H3	C1	C5	110.035
H4	C1	C5	108.748	C5	O7	C12	106.963
C5	O8	C9	106.110	H6	C5	O7	106.963
H6	C5	O8	110.919	O7	C5	O8	107.301
O7	C12	C9	103.002	O7	C12	H13	111.186
O7	C12	H14	107.943	O8	C9	H10	107.557
O8	C9	H11	111.417	O8	C9	C12	102.192
C9	C12	H13	110.625	C9	C12	H14	113.542
H10	C9	H11	110.606	H10	C9	C12	113.934
H11	C9	C12	110.820	H13	C12	H14	110.312

Number	Element	Mulliken
1	C	-0.561
2	H	0.200
3	H	0.200
4	H	0.206
5	C	0.254
6	H	0.195
7	O	-0.484
8	O	-0.483
9	C	-0.173
10	H	0.210
11	H	0.197
12	C	-0.162
13	H	0.196
14	H	0.205

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

using model chemistry: B3LYP/3-21G*

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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	x	y	z	Total
	-1.153	-0.068	0.294	1.192
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>	150.777
(<r²>)^1/2	12.279

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

using model chemistry: B3LYP/3-21G*

States and conformations

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