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	hartrees
Energy at 0K	-59.270498
Energy at 298.15K	-59.280754
Nuclear repulsion energy	143.313621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3121	3041	51.08
2	A	3119	3040	24.98
3	A	3107	3028	25.21
4	A	3087	3008	41.90
5	A	3026	2949	62.38
6	A	3014	2937	19.15
7	A	2995	2919	73.34
8	A	2966	2890	86.15
9	A	1533	1494	0.41
10	A	1518	1479	3.64
11	A	1504	1466	5.30
12	A	1502	1463	5.75
13	A	1437	1401	38.49
14	A	1399	1363	30.82
15	A	1371	1336	3.33
16	A	1361	1327	1.63
17	A	1319	1285	4.93
18	A	1226	1195	12.98
19	A	1197	1166	1.37
20	A	1171	1141	25.73
21	A	1135	1106	9.91
22	A	1109	1080	81.42
23	A	1102	1074	52.10
24	A	1009	983	31.25
25	A	991	966	39.32
26	A	933	909	41.37
27	A	866	844	2.20
28	A	825	804	39.54
29	A	799	779	29.42
30	A	666	649	0.88
31	A	651	634	3.96
32	A	478	466	8.01
33	A	319	311	8.34
34	A	206	200	1.51
35	A	192	187	4.72
36	A	50	49	9.35

Atom	x (Å)	y (Å)	z (Å)
C1	-2.117	0.013	-0.220
H2	-2.681	-0.900	0.004
H3	-2.668	0.876	0.169
H4	-2.011	0.115	-1.305
C5	-0.739	-0.051	0.425
H6	-0.786	-0.167	1.522
O7	0.037	1.174	0.128
O8	0.042	-1.153	-0.144
C9	1.453	-0.761	0.031
H10	2.038	-1.313	-0.708
H11	1.791	-1.018	1.046
C12	1.428	0.777	-0.198
H13	1.624	1.044	-1.244
H14	2.117	1.320	0.459

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0963	1.0958	1.0947	1.5231	2.2005	2.4723	2.4548	3.6620	4.3891	4.2357	3.6269	4.0129	4.4835
H2	1.0963		1.7847	1.7867	2.1605	2.5366	3.4215	2.7381	4.1364	4.7901	4.5931	4.4428	4.8849	5.3064
H3	1.0958	1.7847		1.7846	2.1557	2.5424	2.7219	3.3997	4.4368	5.2642	4.9235	4.1138	4.5212	4.8147
H4	1.0947	1.7867	1.7846		2.1541	3.0945	2.7155	2.6779	3.8152	4.3352	4.6120	3.6733	3.7521	4.6486
C5	1.5231	2.1605	2.1557	2.1541		1.1041	1.4809	1.4649	2.3379	3.2542	2.7788	2.4028	3.0931	3.1689
H6	2.2005	2.5366	2.5424	3.0945	1.1041		2.1022	2.1047	2.7547	3.7763	2.7547	2.9587	3.8627	3.4308
O7	2.4723	3.4215	2.7219	2.7155	1.4809	2.1022		2.3426	2.3998	3.2999	2.9537	1.4829	2.1014	2.1113
O8	2.4548	2.7381	3.3997	2.6779	1.4649	2.1047	2.3426		1.4752	2.0809	2.1198	2.3769	2.9217	3.2838
C9	3.6620	4.1364	4.4368	3.8152	2.3379	2.7547	2.3998	1.4752		1.0923	1.1006	1.5554	2.2160	2.2255
H10	4.3891	4.7901	5.2642	4.3352	3.2542	3.7763	3.2999	2.0809	1.0923		1.7963	2.2362	2.4521	2.8805
H11	4.2357	4.5931	4.9235	4.6120	2.7788	2.7547	2.9537	2.1198	1.1006	1.7963		2.2147	3.0861	2.4326
C12	3.6269	4.4428	4.1138	3.6733	2.4028	2.9587	1.4829	2.3769	1.5554	2.2362	2.2147		1.0962	1.0959
H13	4.0129	4.8849	4.5212	3.7521	3.0931	3.8627	2.1014	2.9217	2.2160	2.4521	3.0861	1.0962		1.7938
H14	4.4835	5.3064	4.8147	4.6486	3.1689	3.4308	2.1113	3.2838	2.2255	2.8805	2.4326	1.0959	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	112.803	C1	C5	O7	110.759
C1	C5	O8	110.461	H2	C1	H3	108.999
H2	C1	H4	109.263	H2	C1	C5	110.066
H3	C1	H4	109.118	H3	C1	C5	109.718
H4	C1	C5	109.656	C5	O7	C12	108.328
C5	O8	C9	105.341	H6	C5	O7	107.941
H6	C5	O8	109.223	O7	C5	O8	105.353
O7	C12	C9	104.317	O7	C12	H13	108.198
O7	C12	H14	108.986	O8	C9	H10	107.349
O8	C9	H11	109.915	O8	C9	C12	103.279
C9	C12	H13	112.224	C9	C12	H14	113.004
H10	C9	H11	109.994	H10	C9	C12	114.112
H11	C9	C12	111.851	H13	C12	H14	109.832

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

using model chemistry: B3LYP/CEP-121G

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	-0.453
2	H	0.156
3	H	0.160
4	H	0.157
5	C	0.125
6	H	0.119
7	O	-0.285
8	O	-0.276
9	C	-0.164
10	H	0.169
11	H	0.142
12	C	-0.145
13	H	0.149
14	H	0.145

	x	y	z	Total
	1.451	-0.279	0.497	1.559
CHELPG
AIM
ESP

	x	y	z
x	9.398	0.046	-0.251
y	0.046	6.960	-0.088
z	-0.251	-0.088	6.891

<r²>	129.798
(<r²>)^1/2	11.393

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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