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	hartrees
Energy at 0K	-306.833965
Energy at 298.15K	-306.844492
HF Energy	-305.901910
Nuclear repulsion energy	263.445662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3044	13.93
2	A	3197	3038	11.55
3	A	3183	3025	32.17
4	A	3151	2995	25.50
5	A	3097	2944	7.54
6	A	3092	2938	63.70
7	A	3062	2910	49.37
8	A	2990	2842	93.43
9	A	1570	1492	1.06
10	A	1554	1476	4.33
11	A	1524	1448	8.43
12	A	1523	1447	2.75
13	A	1480	1407	77.24
14	A	1427	1356	2.59
15	A	1422	1351	9.61
16	A	1403	1334	0.72
17	A	1369	1301	0.56
18	A	1278	1215	18.01
19	A	1255	1192	1.71
20	A	1210	1150	54.15
21	A	1190	1131	24.74
22	A	1162	1104	88.87
23	A	1139	1082	40.45
24	A	1099	1045	22.42
25	A	1074	1020	63.33
26	A	977	929	12.33
27	A	906	861	50.41
28	A	889	845	4.79
29	A	872	828	7.38
30	A	710	675	1.49
31	A	701	667	4.18
32	A	528	502	4.50
33	A	337	320	5.87
34	A	238	226	0.40
35	A	213	202	5.99
36	A	52	50	3.46

Atom	x (Å)	y (Å)	z (Å)
C1	-2.060	0.013	-0.210
H2	-2.612	-0.903	0.005
H3	-2.607	0.865	0.197
H4	-1.958	0.132	-1.290
C5	-0.690	-0.052	0.406
H6	-0.739	-0.179	1.501
O7	0.034	1.143	0.125
O8	0.037	-1.117	-0.159
C9	1.388	-0.746	0.058
H10	2.010	-1.313	-0.634
H11	1.688	-0.966	1.092
C12	1.365	0.760	-0.211
H13	1.549	0.985	-1.266
H14	2.075	1.314	0.409

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0920	1.0914	1.0908	1.5035	2.1703	2.4021	2.3827	3.5407	4.3014	4.0861	3.5052	3.8837	4.3784
H2	1.0920		1.7791	1.7827	2.1404	2.5044	3.3469	2.6633	4.0040	4.6843	4.4352	4.3167	4.7434	5.2010
H3	1.0914	1.7791		1.7804	2.1354	2.5059	2.6563	3.3238	4.3101	5.1725	4.7537	3.9943	4.4080	4.7081
H4	1.0908	1.7827	1.7804		2.1254	3.0613	2.6437	2.6112	3.7125	4.2734	4.4906	3.5495	3.6092	4.5328
C5	1.5035	2.1404	2.1354	2.1254		1.1035	1.4245	1.4079	2.2184	3.1564	2.6379	2.2941	2.9807	3.0838
H6	2.1703	2.5044	2.5059	3.0613	1.1035		2.0580	2.0590	2.6323	3.6612	2.5837	2.8704	3.7745	3.3671
O7	2.4021	3.3469	2.6563	2.6437	1.4245	2.0580		2.2769	2.3247	3.2424	2.8489	1.4252	2.0635	2.0678
O8	2.3827	2.6633	3.3238	2.6112	1.4079	2.0590	2.2769		1.4176	2.0385	2.0761	2.2996	2.8154	3.2224
C9	3.5407	4.0040	4.3101	3.7125	2.2184	2.6323	2.3247	1.4176		1.0900	1.0986	1.5300	2.1848	2.1996
H10	4.3014	4.6843	5.1725	4.2734	3.1564	3.6612	3.2424	2.0385	1.0900		1.7899	2.2125	2.4273	2.8280
H11	4.0861	4.4352	4.7537	4.4906	2.6379	2.5837	2.8489	2.0761	1.0986	1.7899		2.1869	3.0636	2.4120
C12	3.5052	4.3167	3.9943	3.5495	2.2941	2.8704	1.4252	2.2996	1.5300	2.2125	2.1869		1.0945	1.0934
H13	3.8837	4.7434	4.4080	3.6092	2.9807	3.7745	2.0635	2.8154	2.1848	2.4273	3.0636	1.0945		1.7868
H14	4.3784	5.2010	4.7081	4.5328	3.0838	3.3671	2.0678	3.2224	2.1996	2.8280	2.4120	1.0934	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.799	C1	C5	O7	110.222
C1	C5	O8	109.808	H2	C1	H3	109.137
H2	C1	H4	109.522	H2	C1	C5	110.097
H3	C1	H4	109.348	H3	C1	C5	109.738
H4	C1	C5	108.983	C5	O7	C12	107.231
C5	O8	C9	103.463	H6	C5	O7	108.328
H6	C5	O8	109.548	O7	C5	O8	107.007
O7	C12	C9	103.689	O7	C12	H13	109.254
O7	C12	H14	109.671	O8	C9	H10	108.056
O8	C9	H11	110.554	O8	C9	C12	102.484
C9	C12	H13	111.631	C9	C12	H14	112.900
H10	C9	H11	109.736	H10	C9	C12	114.178
H11	C9	C12	111.555	H13	C12	H14	109.510

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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