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	hartrees
Energy at 0K	-306.730643
Energy at 298.15K	-306.741214
HF Energy	-305.834793
Nuclear repulsion energy	263.282281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3232	3045	12.05
2	A	3222	3036	10.02
3	A	3204	3019	23.54
4	A	3171	2987	33.04
5	A	3124	2944	5.78
6	A	3108	2928	47.75
7	A	3081	2903	43.97
8	A	3027	2852	83.38
9	A	1590	1498	0.30
10	A	1569	1479	2.95
11	A	1549	1460	4.31
12	A	1547	1458	2.06
13	A	1492	1406	74.67
14	A	1447	1363	2.66
15	A	1430	1347	9.81
16	A	1420	1338	7.88
17	A	1369	1290	1.55
18	A	1286	1212	19.03
19	A	1258	1185	2.89
20	A	1220	1149	67.08
21	A	1192	1123	54.54
22	A	1173	1105	57.01
23	A	1151	1084	49.41
24	A	1096	1033	19.66
25	A	1072	1010	40.86
26	A	988	931	14.97
27	A	930	876	2.04
28	A	911	858	47.13
29	A	864	814	10.87
30	A	710	669	1.67
31	A	664	626	3.51
32	A	512	483	6.68
33	A	343	323	5.84
34	A	260	245	0.88
35	A	240	226	2.27
36	A	57	53	6.53

Atom	x (Å)	y (Å)	z (Å)
C1	-2.059	0.015	-0.225
H2	-2.615	-0.907	-0.036
H3	-2.616	0.859	0.186
H4	-1.934	0.152	-1.300
C5	-0.700	-0.059	0.412
H6	-0.764	-0.200	1.505
O7	0.038	1.141	0.161
O8	0.043	-1.118	-0.157
C9	1.398	-0.735	0.065
H10	2.033	-1.318	-0.602
H11	1.687	-0.923	1.109
C12	1.358	0.757	-0.238
H13	1.489	0.951	-1.309
H14	2.093	1.337	0.327

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0923	1.0918	1.0910	1.5028	2.1716	2.4114	2.3885	3.5488	4.3204	4.0850	3.4971	3.8262	4.3926
H2	1.0923		1.7799	1.7834	2.1412	2.5100	3.3568	2.6685	4.0172	4.7002	4.4510	4.3120	4.6808	5.2279
H3	1.0918	1.7799		1.7809	2.1368	2.5084	2.6689	3.3310	4.3202	5.1939	4.7476	3.9980	4.3694	4.7354
H4	1.0910	1.7834	1.7809		2.1215	3.0599	2.6465	2.6129	3.7086	4.2885	4.4799	3.5122	3.5155	4.5027
C5	1.5028	2.1412	2.1368	2.1215		1.1037	1.4313	1.4131	2.2309	3.1757	2.6318	2.3081	2.9623	3.1241
H6	2.1716	2.5100	2.5084	3.0599	1.1037		2.0609	2.0638	2.6521	3.6768	2.5858	2.9088	3.7842	3.4518
O7	2.4114	3.3568	2.6689	2.6465	1.4313	2.0609		2.2812	2.3187	3.2576	2.8062	1.4318	2.0742	2.0712
O8	2.3885	2.6685	3.3310	2.6129	1.4131	2.0638	2.2812		1.4254	2.0493	2.0842	2.2920	2.7744	3.2352
C9	3.5488	4.0172	4.3202	3.7086	2.2309	2.6521	2.3187	1.4254		1.0909	1.0990	1.5232	2.1768	2.2013
H10	4.3204	4.7002	5.1939	4.2885	3.1757	3.6768	3.2576	2.0493	1.0909		1.7901	2.2127	2.4383	2.8142
H11	4.0850	4.4510	4.7476	4.4799	2.6318	2.5858	2.8062	2.0842	1.0990	1.7901		2.1784	3.0652	2.4257
C12	3.4971	4.3120	3.9980	3.5122	2.3081	2.9088	1.4318	2.2920	1.5232	2.2127	2.1784		1.0956	1.0938
H13	3.8262	4.6808	4.3694	3.5155	2.9623	3.7842	2.0742	2.7744	2.1768	2.4383	3.0652	1.0956		1.7862
H14	4.3926	5.2279	4.7354	4.5027	3.1241	3.4518	2.0712	3.2352	2.2013	2.8142	2.4257	1.0938	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.938	C1	C5	O7	110.521
C1	C5	O8	109.955	H2	C1	H3	109.163
H2	C1	H4	109.535	H2	C1	C5	110.193
H3	C1	H4	109.344	H3	C1	C5	109.875
H4	C1	C5	108.716	C5	O7	C12	107.443
C5	O8	C9	103.613	H6	C5	O7	108.079
H6	C5	O8	109.553	O7	C5	O8	106.635
O7	C12	C9	103.335	O7	C12	H13	109.591
O7	C12	H14	109.458	O8	C9	H10	108.325
O8	C9	H11	110.632	O8	C9	C12	101.976
C9	C12	H13	111.407	C9	C12	H14	113.514
H10	C9	H11	109.658	H10	C9	C12	114.644
H11	C9	C12	111.323	H13	C12	H14	109.346

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

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

States and conformations

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