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	hartrees
Energy at 0K	-305.844305
Energy at 298.15K	-305.854719
Nuclear repulsion energy	261.075980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3039	27.48
2	A	3175	3038	10.80
3	A	3173	3035	20.67
4	A	3163	3026	17.28
5	A	3096	2962	44.37
6	A	3090	2956	10.80
7	A	3073	2940	54.97
8	A	3064	2931	25.21
9	A	1557	1490	0.55
10	A	1553	1486	7.21
11	A	1545	1478	0.25
12	A	1543	1476	5.98
13	A	1455	1392	23.03
14	A	1413	1352	28.63
15	A	1384	1324	2.34
16	A	1378	1318	16.28
17	A	1305	1248	8.09
18	A	1248	1194	10.55
19	A	1211	1159	1.23
20	A	1164	1114	32.12
21	A	1144	1095	81.39
22	A	1124	1075	50.76
23	A	1103	1056	49.16
24	A	1036	992	18.57
25	A	1005	962	28.86
26	A	943	903	9.79
27	A	914	874	1.51
28	A	848	812	36.88
29	A	833	797	4.05
30	A	697	666	2.81
31	A	614	587	5.28
32	A	452	433	18.24
33	A	350	334	1.62
34	A	246	236	1.15
35	A	231	221	0.45
36	A	62	60	11.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.918	0.005	0.442
H2	2.469	-0.937	0.453
H3	2.587	0.817	0.150
H4	1.531	0.197	1.445
C5	0.758	-0.088	-0.521
H6	1.070	-0.222	-1.559
O7	-0.060	1.117	-0.482
O8	-0.089	-1.197	-0.084
C9	-1.443	-0.660	0.067
H10	-1.935	-1.219	0.861
H11	-2.007	-0.735	-0.868
C12	-1.174	0.802	0.414
H13	-0.885	0.902	1.466
H14	-1.991	1.479	0.172

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0917	1.0915	1.0919	1.5106	2.1853	2.4499	2.3980	3.4459	4.0648	4.2031	3.1926	3.1153	4.1862
H2	1.0917		1.7838	1.7745	2.1442	2.5528	3.3896	2.6264	3.9398	4.4318	4.6707	4.0363	3.9562	5.0799
H3	1.0915	1.7838		1.7819	2.1484	2.5108	2.7380	3.3575	4.2923	5.0103	4.9546	3.7700	3.7133	4.6259
H4	1.0919	1.7745	1.7819		2.1316	3.0680	2.6631	2.6279	3.3872	3.7897	4.3281	2.9570	2.5164	3.9584
C5	1.5106	2.1442	2.1484	2.1316		1.0923	1.4568	1.4625	2.3482	3.2316	2.8604	2.3228	2.7610	3.2390
H6	2.1853	2.5528	2.5108	3.0680	1.0923		2.0568	2.1141	3.0245	3.9853	3.1948	3.1583	3.7726	3.9065
O7	2.4499	3.3896	2.7380	2.6631	1.4568	2.0568		2.3488	2.3177	3.2837	2.7149	1.4640	2.1262	2.0710
O8	2.3980	2.6264	3.3575	2.6279	1.4625	2.1141	2.3488		1.4640	2.0742	2.1226	2.3282	2.7278	3.2931
C9	3.4459	3.9398	4.2923	3.3872	2.3482	3.0245	2.3177	1.4640		1.0893	1.0946	1.5260	2.1694	2.2103
H10	4.0648	4.4318	5.0103	3.7897	3.2316	3.9853	3.2837	2.0742	1.0893		1.7968	2.2058	2.4434	2.7853
H11	4.2031	4.6707	4.9546	4.3281	2.8604	3.1948	2.7149	2.1226	1.0946	1.7968		2.1676	3.0634	2.4459
C12	3.1926	4.0363	3.7700	2.9570	2.3228	3.1583	1.4640	2.3282	1.5260	2.2058	2.1676		1.0954	1.0886
H13	3.1153	3.9562	3.7133	2.5164	2.7610	3.7726	2.1262	2.7278	2.1694	2.4434	3.0634	1.0954		1.7974
H14	4.1862	5.0799	4.6259	3.9584	3.2390	3.9065	2.0710	3.2931	2.2103	2.7853	2.4459	1.0886	1.7974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	113.204	C1	C5	O7	111.290
C1	C5	O8	107.514	H2	C1	H3	109.586
H2	C1	H4	108.713	H2	C1	C5	109.926
H3	C1	H4	109.400	H3	C1	C5	110.268
H4	C1	C5	108.920	C5	O7	C12	105.365
C5	O8	C9	106.717	H6	C5	O7	106.708
H6	C5	O8	110.853	O7	C5	O8	107.136
O7	C12	C9	101.616	O7	C12	H13	111.543
O7	C12	H14	107.541	O8	C9	H10	107.757
O8	C9	H11	111.296	O8	C9	C12	102.254
C9	C12	H13	110.626	C9	C12	H14	114.383
H10	C9	H11	110.726	H10	C9	C12	113.965
H11	C9	C12	110.530	H13	C12	H14	110.772

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

using model chemistry: B1B95/3-21G

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
1	C	-0.601
2	H	0.220
3	H	0.215
4	H	0.218
5	C	0.212
6	H	0.226
7	O	-0.480
8	O	-0.487
9	C	-0.197
10	H	0.227
11	H	0.219
12	C	-0.218
13	H	0.215
14	H	0.232

	x	y	z	Total
	-0.991	0.187	0.764	1.265
CHELPG
AIM
ESP

	x	y	z
x	7.916	-0.078	-0.352
y	-0.078	5.830	0.075
z	-0.352	0.075	5.917

<r²>	146.337
(<r²>)^1/2	12.097

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

using model chemistry: B1B95/3-21G

States and conformations

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