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	hartrees
Energy at 0K	-304.734335
Energy at 298.15K	-304.744750
HF Energy	-304.136743
Nuclear repulsion energy	257.922286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3048	28.44
2	A	3191	3045	21.72
3	A	3189	3043	13.55
4	A	3181	3036	13.28
5	A	3108	2967	9.53
6	A	3105	2963	54.84
7	A	3097	2957	42.60
8	A	3093	2952	24.73
9	A	1605	1532	0.32
10	A	1598	1525	2.49
11	A	1593	1520	2.13
12	A	1587	1515	3.63
13	A	1491	1423	12.49
14	A	1456	1389	38.90
15	A	1415	1350	1.29
16	A	1409	1345	17.53
17	A	1341	1280	8.28
18	A	1263	1205	5.84
19	A	1229	1173	0.20
20	A	1181	1128	19.21
21	A	1162	1110	9.30
22	A	1143	1091	31.02
23	A	1123	1072	112.13
24	A	1041	994	14.32
25	A	991	946	33.61
26	A	932	890	12.49
27	A	919	877	3.90
28	A	838	799	27.20
29	A	814	777	9.97
30	A	682	651	2.54
31	A	622	594	5.46
32	A	459	438	16.04
33	A	346	331	2.52
34	A	251	239	0.83
35	A	233	223	0.66
36	A	52	49	12.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.986	0.006	0.394
H2	2.551	-0.928	0.345
H3	2.621	0.839	0.082
H4	1.650	0.168	1.421
C5	0.761	-0.079	-0.504
H6	1.008	-0.207	-1.562
O7	-0.051	1.157	-0.404
O8	-0.069	-1.201	-0.021
C9	-1.462	-0.688	0.016
H10	-2.001	-1.265	0.767
H11	-1.943	-0.775	-0.964
C12	-1.252	0.791	0.389
H13	-1.064	0.893	1.463
H14	-2.063	1.448	0.075

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0930	1.0928	1.0928	1.5207	2.1969	2.4710	2.4194	3.5366	4.2009	4.2298	3.3311	3.3506	4.3098
H2	1.0930		1.7878	1.7809	2.1547	2.5559	3.4165	2.6593	4.0328	4.5835	4.6831	4.1731	4.1986	5.1969
H3	1.0928	1.7878		1.7852	2.1551	2.5294	2.7338	3.3780	4.3590	5.1242	4.9529	3.8851	3.9352	4.7237
H4	1.0928	1.7809	1.7852		2.1348	3.0745	2.6836	2.6290	3.5198	3.9762	4.4149	3.1423	2.8090	4.1521
C5	1.5207	2.1547	2.1551	2.1348		1.0941	1.4818	1.4774	2.3624	3.2637	2.8303	2.3677	2.8536	3.2628
H6	2.1969	2.5559	2.5294	3.0745	1.0941		2.0791	2.1269	2.9699	3.9496	3.0647	3.1482	3.8281	3.8544
O7	2.4710	3.4165	2.7338	2.6836	1.4818	2.0791		2.3891	2.3598	3.3227	2.7618	1.4852	2.1407	2.0896
O8	2.4194	2.6593	3.3780	2.6290	1.4774	2.1269	2.3891		1.4847	2.0874	2.1409	2.3530	2.7526	3.3177
C9	3.5366	4.0328	4.3590	3.5198	2.3624	2.9699	2.3598	1.4847		1.0904	1.0954	1.5392	2.1794	2.2197
H10	4.2009	4.5835	5.1242	3.9762	3.2637	3.9496	3.3227	2.0874	1.0904		1.8002	2.2205	2.4530	2.8006
H11	4.2298	4.6831	4.9529	4.4149	2.8303	3.0647	2.7618	2.1409	1.0954	1.8002		2.1820	3.0734	2.4570
C12	3.3311	4.1731	3.8851	3.1423	2.3677	3.1482	1.4852	2.3530	1.5392	2.2205	2.1820		1.0952	1.0905
H13	3.3506	4.1986	3.9352	2.8090	2.8536	3.8281	2.1407	2.7526	2.1794	2.4530	3.0734	1.0952		1.7984
H14	4.3098	5.1969	4.7237	4.1521	3.2628	3.8544	2.0896	3.3177	2.2197	2.8006	2.4570	1.0905	1.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	113.310	C1	C5	O7	110.763
C1	C5	O8	107.593	H2	C1	H3	109.752
H2	C1	H4	109.126	H2	C1	C5	109.968
H3	C1	H4	109.529	H3	C1	C5	110.014
H4	C1	C5	108.427	C5	O7	C12	105.883
C5	O8	C9	105.798	H6	C5	O7	106.660
H6	C5	O8	110.721	O7	C5	O8	107.679
O7	C12	C9	102.549	O7	C12	H13	111.217
O7	C12	H14	107.449	O8	C9	H10	107.326
O8	C9	H11	111.262	O8	C9	C12	102.166
C9	C12	H13	110.509	C9	C12	H14	114.064
H10	C9	H11	110.895	H10	C9	C12	114.135
H11	C9	C12	110.698	H13	C12	H14	110.742

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.551	-0.540
2	H	0.195	0.134
3	H	0.193	0.136
4	H	0.199	0.170
5	C	0.271	0.603
6	H	0.194	0.008
7	O	-0.493	-0.468
8	O	-0.494	-0.447
9	C	-0.153	0.013
10	H	0.205	0.098
11	H	0.192	0.069
12	C	-0.153	0.093
13	H	0.191	0.056
14	H	0.204	0.075

	x	y	z	Total
	-1.183	0.025	0.463	1.271
CHELPG
AIM
ESP	-1.203	0.030	0.489	1.299

	x	y	z
x	7.776	-0.076	-0.368
y	-0.076	5.759	0.048
z	-0.368	0.048	5.827

<r²>	150.960
(<r²>)^1/2	12.287

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

using model chemistry: MP2/3-21G

States and conformations

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