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	hartrees
Energy at 0K	-307.558235
Energy at 298.15K	-307.568468
Nuclear repulsion energy	259.594792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3055	3060	19.27
2	A	3048	3053	17.34
3	A	3026	3031	31.12
4	A	2971	2975	14.11
5	A	2967	2972	59.81
6	A	2923	2928	73.13
7	A	2888	2892	68.00
8	A	2819	2823	117.14
9	A	1458	1461	0.56
10	A	1440	1442	2.72
11	A	1417	1419	3.31
12	A	1415	1417	4.15
13	A	1371	1374	62.86
14	A	1337	1339	3.37
15	A	1328	1330	12.46
16	A	1318	1320	7.46
17	A	1270	1272	1.12
18	A	1195	1197	15.73
19	A	1168	1170	1.00
20	A	1128	1130	36.14
21	A	1101	1102	54.08
22	A	1080	1082	68.30
23	A	1055	1057	49.84
24	A	999	1001	37.93
25	A	980	982	49.67
26	A	912	914	13.57
27	A	855	856	6.08
28	A	826	827	35.30
29	A	796	798	28.42
30	A	678	679	1.51
31	A	647	648	1.73
32	A	482	483	4.10
33	A	319	320	4.68
34	A	221	221	1.41
35	A	206	206	1.61
36	A	58	58	3.46

Atom	x (Å)	y (Å)	z (Å)
C1	-2.093	0.014	-0.220
H2	-2.664	-0.906	0.013
H3	-2.648	0.885	0.179
H4	-1.998	0.118	-1.318
C5	-0.710	-0.051	0.411
H6	-0.775	-0.173	1.525
O7	0.038	1.158	0.131
O8	0.039	-1.135	-0.147
C9	1.413	-0.755	0.049
H10	2.035	-1.329	-0.663
H11	1.744	-0.980	1.091
C12	1.388	0.769	-0.213
H13	1.582	1.009	-1.282
H14	2.114	1.326	0.417

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.1080	1.1072	1.1073	1.5220	2.1949	2.4443	2.4230	3.5998	4.3642	4.1751	3.5619	3.9527	4.4530
H2	1.1080		1.7995	1.8066	2.1701	2.5287	3.4029	2.7171	4.0803	4.7666	4.5387	4.3904	4.8346	5.2896
H3	1.1072	1.7995		1.8041	2.1653	2.5377	2.7005	3.3773	4.3818	5.2486	4.8580	4.0566	4.4770	4.7885
H4	1.1073	1.8066	1.8041		2.1630	3.1086	2.7071	2.6622	3.7769	4.3346	4.5838	3.6207	3.6893	4.6239
C5	1.5220	2.1701	2.1653	2.1630		1.1223	1.4497	1.4302	2.2655	3.2126	2.7101	2.3370	3.0400	3.1420
H6	2.1949	2.5287	2.5377	3.1086	1.1223		2.0920	2.0933	2.7025	3.7442	2.6800	2.9296	3.8507	3.4382
O7	2.4443	3.4029	2.7005	2.7071	1.4497	2.0920		2.3101	2.3574	3.2874	2.8991	1.4463	2.0980	2.1024
O8	2.4230	2.7171	3.3773	2.6622	1.4302	2.0933	2.3101		1.4396	2.0714	2.1132	2.3343	2.8749	3.2685
C9	3.5998	4.0803	4.3818	3.7769	2.2655	2.7025	2.3574	1.4396		1.1062	1.1166	1.5459	2.2157	2.2263
H10	4.3642	4.7666	5.2486	4.3346	3.2126	3.7442	3.2874	2.0714	1.1062		1.8122	2.2411	2.4606	2.8674
H11	4.1751	4.5387	4.8580	4.5838	2.7101	2.6800	2.8991	2.1132	1.1166	1.8122		2.2101	3.1005	2.4310
C12	3.5619	4.3904	4.0566	3.6207	2.3370	2.9296	1.4463	2.3343	1.5459	2.2411	2.2101		1.1129	1.1111
H13	3.9527	4.8346	4.4770	3.6893	3.0400	3.8507	2.0980	2.8749	2.2157	2.4606	3.1005	1.1129		1.8083
H14	4.4530	5.2896	4.7885	4.6239	3.1420	3.4382	2.1024	3.2685	2.2263	2.8674	2.4310	1.1111	1.8083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.308	C1	C5	O7	110.655
C1	C5	O8	110.277	H2	C1	H3	108.651
H2	C1	H4	109.273	H2	C1	C5	110.211
H3	C1	H4	109.111	H3	C1	C5	109.881
H4	C1	C5	109.689	C5	O7	C12	107.604
C5	O8	C9	104.262	H6	C5	O7	108.185
H6	C5	O8	109.609	O7	C5	O8	106.676
O7	C12	C9	103.923	O7	C12	H13	109.439
O7	C12	H14	109.899	O8	C9	H10	108.198
O8	C9	H11	110.890	O8	C9	C12	102.806
C9	C12	H13	111.853	C9	C12	H14	112.819
H10	C9	H11	109.232	H10	C9	C12	114.335
H11	C9	C12	111.196	H13	C12	H14	108.791

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.066
2	H	0.013
3	H	0.017
4	H	0.011
5	C	0.198
6	H	-0.025
7	O	-0.302
8	O	-0.275
9	C	0.128
10	H	0.006
11	H	-0.004
12	C	0.163
13	H	0.005
14	H	-0.001

	x	y	z	Total
	0.916	-0.251	0.237	0.979
CHELPG
AIM
ESP

	x	y	z
x	9.461	0.057	-0.158
y	0.057	6.868	-0.169
z	-0.158	-0.169	7.037

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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