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	hartrees
Energy at 0K	-307.703510
Energy at 298.15K	-307.713831
HF Energy	-307.703510
Nuclear repulsion energy	261.892374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	3036	20.88
2	A	3144	3027	16.21
3	A	3137	3019	30.95
4	A	3092	2976	39.73
5	A	3063	2948	12.42
6	A	3048	2934	72.39
7	A	3013	2900	59.60
8	A	2950	2839	97.37
9	A	1544	1486	0.34
10	A	1526	1469	2.06
11	A	1506	1449	2.38
12	A	1504	1448	5.00
13	A	1441	1387	64.49
14	A	1401	1349	6.56
15	A	1383	1331	13.55
16	A	1376	1324	0.52
17	A	1333	1283	1.14
18	A	1250	1203	16.16
19	A	1222	1177	1.92
20	A	1175	1131	45.21
21	A	1154	1111	43.28
22	A	1128	1085	91.33
23	A	1107	1066	49.83
24	A	1055	1015	26.82
25	A	1033	994	58.39
26	A	947	912	11.74
27	A	872	840	9.24
28	A	867	835	55.42
29	A	840	809	13.04
30	A	687	661	1.01
31	A	672	647	3.33
32	A	495	476	4.24
33	A	321	309	6.50
34	A	216	208	0.51
35	A	197	190	5.33
36	A	45	44	5.06

Atom	x (Å)	y (Å)	z (Å)
C1	-2.079	0.014	-0.227
H2	-2.633	-0.904	-0.012
H3	-2.635	0.865	0.175
H4	-1.977	0.130	-1.309
C5	-0.705	-0.047	0.411
H6	-0.785	-0.166	1.507
O7	0.041	1.138	0.138
O8	0.041	-1.120	-0.129
C9	1.404	-0.752	0.036
H10	2.002	-1.308	-0.688
H11	1.755	-0.987	1.053
C12	1.375	0.769	-0.211
H13	1.560	1.015	-1.264
H14	2.088	1.317	0.414

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0937	1.0931	1.0931	1.5156	2.1714	2.4267	2.4064	3.5755	4.3144	4.1641	3.5354	3.9143	4.4130
H2	1.0937		1.7790	1.7842	2.1515	2.5037	3.3675	2.6854	4.0398	4.7015	4.5160	4.3476	4.7785	5.2349
H3	1.0931	1.7790		1.7821	2.1468	2.5016	2.6894	3.3455	4.3520	5.1927	4.8445	4.0291	4.4376	4.7504
H4	1.0931	1.7842	1.7821		2.1464	3.0728	2.6797	2.6516	3.7441	4.2765	4.5560	3.5847	3.6468	4.5724
C5	1.5156	2.1515	2.1468	2.1464		1.1058	1.4265	1.4141	2.2550	3.1823	2.7110	2.3194	3.0109	3.1088
H6	2.1714	2.5037	2.5016	3.0728	1.1058		2.0631	2.0662	2.7013	3.7270	2.7078	2.9137	3.8175	3.4127
O7	2.4267	3.3675	2.6894	2.6797	1.4265	2.0631		2.2736	2.3320	3.2418	2.8796	1.4274	2.0712	2.0740
O8	2.4064	2.6854	3.3455	2.6516	1.4141	2.0662	2.2736		1.4211	2.0479	2.0858	2.3140	2.8557	3.2287
C9	3.5755	4.0398	4.3520	3.7441	2.2550	2.7013	2.3320	1.4211		1.0917	1.1011	1.5409	2.1989	2.2113
H10	4.3144	4.7015	5.1927	4.2765	3.1823	3.7270	3.2418	2.0479	1.0917		1.7873	2.2212	2.4331	2.8479
H11	4.1641	4.5160	4.8445	4.5560	2.7110	2.7078	2.8796	2.0858	1.1011	1.7873		2.1968	3.0681	2.4140
C12	3.5354	4.3476	4.0291	3.5847	2.3194	2.9137	1.4274	2.3140	1.5409	2.2212	2.1968		1.0972	1.0955
H13	3.9143	4.7785	4.4376	3.6468	3.0109	3.8175	2.0712	2.8557	2.1989	2.4331	3.0681	1.0972		1.7852
H14	4.4130	5.2349	4.7504	4.5724	3.1088	3.4127	2.0740	3.2287	2.2113	2.8479	2.4140	1.0955	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.884	C1	C5	O7	111.101
C1	C5	O8	110.396	H2	C1	H3	108.881
H2	C1	H4	109.344	H2	C1	C5	110.029
H3	C1	H4	109.207	H3	C1	C5	109.699
H4	C1	C5	109.661	C5	O7	C12	108.721
C5	O8	C9	105.376	H6	C5	O7	108.448
H6	C5	O8	109.549	O7	C5	O8	106.337
O7	C12	C9	103.492	O7	C12	H13	109.551
O7	C12	H14	109.886	O8	C9	H10	108.459
O8	C9	H11	110.941	O8	C9	C12	102.673
C9	C12	H13	111.820	C9	C12	H14	112.938
H10	C9	H11	109.186	H10	C9	C12	113.984
H11	C9	C12	111.422	H13	C12	H14	109.011

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

using model chemistry: TPSSh/6-31+G**

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	-0.436
2	H	0.168
3	H	0.170
4	H	0.182
5	C	-0.047
6	H	0.129
7	O	-0.329
8	O	-0.301
9	C	-0.061
10	H	0.161
11	H	0.146
12	C	-0.079
13	H	0.152
14	H	0.145

	x	y	z	Total
	1.174	-0.256	0.561	1.326
CHELPG
AIM
ESP

	x	y	z
x	9.470	0.029	-0.095
y	0.029	7.472	-0.097
z	-0.095	-0.097	7.294

<r²>	151.245
(<r²>)^1/2	12.298

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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