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	hartrees
Energy at 0K	-306.779294
Energy at 298.15K	-306.789806
HF Energy	-305.855888
Nuclear repulsion energy	262.588287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3065	11.28
2	A	3212	3060	9.85
3	A	3185	3034	28.94
4	A	3145	2995	34.04
5	A	3103	2955	8.39
6	A	3087	2940	62.13
7	A	3055	2909	52.77
8	A	2977	2836	101.23
9	A	1530	1458	0.71
10	A	1510	1439	5.67
11	A	1485	1415	3.40
12	A	1483	1413	11.92
13	A	1456	1387	73.61
14	A	1399	1333	14.17
15	A	1388	1322	1.24
16	A	1382	1317	3.82
17	A	1343	1280	0.29
18	A	1260	1200	19.15
19	A	1232	1173	1.55
20	A	1200	1143	78.61
21	A	1173	1117	23.84
22	A	1143	1089	75.74
23	A	1123	1069	41.32
24	A	1092	1040	28.57
25	A	1071	1020	43.00
26	A	972	926	15.46
27	A	900	857	38.12
28	A	887	845	9.59
29	A	862	821	8.37
30	A	709	675	1.62
31	A	687	655	3.36
32	A	517	492	4.85
33	A	330	314	4.94
34	A	236	225	0.39
35	A	212	202	4.46
36	A	64	61	3.13

Atom	x (Å)	y (Å)	z (Å)
C1	-2.085	0.012	-0.165
H2	-2.631	-0.905	0.101
H3	-2.616	0.883	0.248
H4	-2.032	0.104	-1.261
C5	-0.682	-0.041	0.387
H6	-0.681	-0.151	1.497
O7	0.025	1.144	0.037
O8	0.030	-1.114	-0.188
C9	1.387	-0.763	0.055
H10	2.026	-1.311	-0.651
H11	1.677	-1.025	1.092
C12	1.392	0.765	-0.148
H13	1.702	1.045	-1.169
H14	2.043	1.281	0.579

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.1008	1.1004	1.1004	1.5084	2.1816	2.4030	2.3965	3.5639	4.3459	4.1001	3.5574	4.0515	4.3824
H2	1.1008		1.7939	1.7983	2.1510	2.5136	3.3556	2.6853	4.0206	4.7351	4.4225	4.3632	4.9188	5.1825
H3	1.1004	1.7939		1.7957	2.1476	2.5240	2.6631	3.3439	4.3323	5.2127	4.7734	4.0296	4.5480	4.6885
H4	1.1004	1.7983	1.7957		2.1348	3.0809	2.6452	2.6242	3.7643	4.3406	4.5352	3.6599	3.8515	4.6233
C5	1.5084	2.1510	2.1476	2.1348		1.1151	1.4236	1.4108	2.2163	3.1664	2.6520	2.2889	3.0475	3.0354
H6	2.1816	2.5136	2.5240	3.0809	1.1151		2.0750	2.0672	2.5939	3.6454	2.5477	2.8007	3.7708	3.2120
O7	2.4030	3.3556	2.6631	2.6452	1.4236	2.0750		2.2689	2.3427	3.2405	2.9232	1.4301	2.0680	2.0939
O8	2.3965	2.6853	3.3439	2.6242	1.4108	2.0672	2.2689		1.4221	2.0582	2.0881	2.3208	2.9015	3.2211
C9	3.5639	4.0206	4.3323	3.7643	2.2163	2.5939	2.3427	1.4221		1.0992	1.1082	1.5414	2.2065	2.2093
H10	4.3459	4.7351	5.2127	4.3406	3.1664	3.6454	3.2405	2.0582	1.0992		1.8007	2.2278	2.4338	2.8684
H11	4.1001	4.4225	4.7734	4.5352	2.6520	2.5477	2.9232	2.0881	1.1082	1.8007		2.1966	3.0662	2.3904
C12	3.5574	4.3632	4.0296	3.6599	2.2889	2.8007	1.4301	2.3208	1.5414	2.2278	2.1966		1.1032	1.1042
H13	4.0515	4.9188	4.5480	3.8515	3.0475	3.7708	2.0680	2.9015	2.2065	2.4338	3.0662	1.1032		1.7968
H14	4.3824	5.1825	4.6885	4.6233	3.0354	3.2120	2.0939	3.2211	2.2093	2.8684	2.3904	1.1042	1.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.645	C1	C5	O7	110.053
C1	C5	O8	110.311	H2	C1	H3	109.167
H2	C1	H4	109.569	H2	C1	C5	110.075
H3	C1	H4	109.359	H3	C1	C5	109.831
H4	C1	C5	108.825	C5	O7	C12	106.654
C5	O8	C9	102.949	H6	C5	O7	109.037
H6	C5	O8	109.294	O7	C5	O8	106.351
O7	C12	C9	104.007	O7	C12	H13	108.750
O7	C12	H14	110.771	O8	C9	H10	108.766
O8	C9	H11	110.613	O8	C9	C12	103.020
C9	C12	H13	112.028	C9	C12	H14	112.196
H10	C9	H11	109.323	H10	C9	C12	114.012
H11	C9	C12	110.940	H13	C12	H14	108.976

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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