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	hartrees
Energy at 0K	-307.435583
Energy at 298.15K	-307.445967
Nuclear repulsion energy	260.206825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3044	25.53
2	A	3191	3043	14.00
3	A	3181	3034	13.02
4	A	3164	3017	29.08
5	A	3089	2946	19.89
6	A	3088	2945	34.41
7	A	3065	2923	50.05
8	A	3048	2907	65.74
9	A	1557	1485	0.40
10	A	1541	1470	4.14
11	A	1526	1455	5.57
12	A	1525	1455	5.43
13	A	1457	1389	41.59
14	A	1429	1363	25.98
15	A	1392	1328	1.12
16	A	1383	1319	5.04
17	A	1337	1275	5.57
18	A	1254	1196	13.66
19	A	1219	1163	2.31
20	A	1195	1140	33.66
21	A	1147	1093	13.85
22	A	1140	1087	101.77
23	A	1121	1069	34.37
24	A	1040	992	26.06
25	A	1020	973	31.31
26	A	964	919	38.37
27	A	904	862	3.01
28	A	852	812	30.71
29	A	819	781	25.51
30	A	687	656	1.87
31	A	641	612	4.68
32	A	479	457	11.50
33	A	335	319	6.57
34	A	236	225	1.54
35	A	217	207	1.35
36	A	57	54	12.27

Atom	x (Å)	y (Å)	z (Å)
C1	2.056	0.013	0.279
H2	2.627	-0.905	0.124
H3	2.637	0.859	-0.092
H4	1.875	0.145	1.347
C5	0.742	-0.063	-0.442
H6	0.858	-0.193	-1.525
O7	-0.044	1.151	-0.233
O8	-0.048	-1.145	0.099
C9	-1.435	-0.723	-0.041
H10	-2.028	-1.309	0.657
H11	-1.784	-0.894	-1.066
C12	-1.353	0.763	0.285
H13	-1.389	0.941	1.363
H14	-2.112	1.365	-0.215

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0920	1.0914	1.0910	1.5005	2.1754	2.4430	2.4082	3.5819	4.3090	4.1688	3.4900	3.7287	4.4092
H2	1.0920		1.7772	1.7782	2.1401	2.5208	3.3896	2.6857	4.0690	4.7025	4.5688	4.3178	4.5901	5.2651
H3	1.0914	1.7772		1.7778	2.1360	2.5146	2.7005	3.3556	4.3686	5.1983	4.8546	4.0083	4.2814	4.7770
H4	1.0910	1.7782	1.7778		2.1280	3.0658	2.6825	2.6310	3.6933	4.2222	4.5052	3.4543	3.3604	4.4527
C5	1.5005	2.1401	2.1360	2.1280		1.0972	1.4619	1.4445	2.3100	3.2303	2.7318	2.3664	2.9680	3.1997
H6	2.1754	2.5208	2.5146	3.0658	1.0972		2.0714	2.0894	2.7826	3.7871	2.7724	3.0131	3.8313	3.6012
O7	2.4430	3.3896	2.7005	2.6825	1.4619	2.0714		2.3198	2.3420	3.2837	2.8115	1.4598	2.0977	2.0787
O8	2.4082	2.6857	3.3556	2.6310	1.4445	2.0894	2.3198		1.4561	2.0636	2.1057	2.3187	2.7834	3.2645
C9	3.5819	4.0690	4.3686	3.6933	2.3100	2.7826	2.3420	1.4561		1.0878	1.0961	1.5241	2.1782	2.2025
H10	4.3090	4.7025	5.1983	4.2222	3.2303	3.7871	3.2837	2.0636	1.0878		1.7897	2.2114	2.4434	2.8145
H11	4.1688	4.5688	4.8546	4.5052	2.7318	2.7724	2.8115	2.1057	1.0961	1.7897		2.1811	3.0698	2.4367
C12	3.4900	4.3178	4.0083	3.4543	2.3664	3.0131	1.4598	2.3187	1.5241	2.2114	2.1811		1.0933	1.0899
H13	3.7287	4.5901	4.2814	3.3604	2.9680	3.8313	2.0977	2.7834	2.1782	2.4434	3.0698	1.0933		1.7859
H14	4.4092	5.2651	4.7770	4.4527	3.1997	3.6012	2.0787	3.2645	2.2025	2.8145	2.4367	1.0899	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	112.823	C1	C5	O7	111.105
C1	C5	O8	109.705	H2	C1	H3	108.966
H2	C1	H4	109.089	H2	C1	C5	110.286
H3	C1	H4	109.095	H3	C1	C5	109.992
H4	C1	C5	109.389	C5	O7	C12	108.181
C5	O8	C9	105.576	H6	C5	O7	107.217
H6	C5	O8	109.825	O7	C5	O8	105.911
O7	C12	C9	103.399	O7	C12	H13	109.665
O7	C12	H14	108.360	O8	C9	H10	107.545
O8	C9	H11	110.392	O8	C9	C12	102.139
C9	C12	H13	111.588	C9	C12	H14	113.787
H10	C9	H11	110.064	H10	C9	C12	114.669
H11	C9	C12	111.655	H13	C12	H14	109.776

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

using model chemistry: B1B95/6-31G

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	-0.435
2	H	0.169
3	H	0.172
4	H	0.174
5	C	0.270
6	H	0.163
7	O	-0.529
8	O	-0.512
9	C	-0.108
10	H	0.187
11	H	0.170
12	C	-0.067
13	H	0.173
14	H	0.174

	x	y	z	Total
	-1.313	-0.232	-0.110	1.338
CHELPG
AIM
ESP

	x	y	z
x	8.373	-0.053	-0.286
y	-0.053	6.187	0.076
z	-0.286	0.076	6.174

<r²>	151.033
(<r²>)^1/2	12.290

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

using model chemistry: B1B95/6-31G

States and conformations

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