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	hartrees
Energy at 0K	-307.592648
Energy at 298.15K	-307.603120
Nuclear repulsion energy	263.891354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3026	17.11
2	A	3186	3021	13.50
3	A	3167	3003	29.60
4	A	3119	2958	48.86
5	A	3098	2938	8.01
6	A	3074	2915	60.61
7	A	3039	2882	57.04
8	A	2980	2826	99.29
9	A	1566	1485	0.35
10	A	1546	1466	3.02
11	A	1520	1441	1.74
12	A	1519	1440	6.13
13	A	1472	1396	81.83
14	A	1423	1349	5.79
15	A	1419	1346	10.54
16	A	1405	1332	5.22
17	A	1359	1289	0.93
18	A	1276	1210	24.69
19	A	1247	1183	0.98
20	A	1208	1145	132.31
21	A	1185	1124	42.36
22	A	1162	1102	57.14
23	A	1139	1080	48.05
24	A	1108	1051	16.18
25	A	1083	1027	38.78
26	A	974	923	8.14
27	A	910	863	29.76
28	A	905	858	17.81
29	A	868	823	7.24
30	A	714	677	1.47
31	A	685	649	3.02
32	A	508	482	4.82
33	A	334	317	5.60
34	A	236	224	0.35
35	A	212	201	3.93
36	A	51	49	4.55

Atom	x (Å)	y (Å)	z (Å)
C1	-2.071	0.013	-0.200
H2	-2.623	-0.900	0.034
H3	-2.615	0.869	0.204
H4	-1.991	0.119	-1.284
C5	-0.690	-0.046	0.398
H6	-0.735	-0.164	1.496
O7	0.035	1.134	0.100
O8	0.038	-1.111	-0.155
C9	1.388	-0.751	0.046
H10	2.007	-1.307	-0.661
H11	1.708	-0.992	1.071
C12	1.372	0.763	-0.188
H13	1.602	1.019	-1.228
H14	2.066	1.299	0.469

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0925	1.0921	1.0920	1.5056	2.1664	2.4041	2.3902	3.5509	4.3100	4.1110	3.5235	3.9439	4.3830
H2	1.0925		1.7771	1.7818	2.1440	2.4991	3.3476	2.6765	4.0143	4.6990	4.4541	4.3331	4.8088	5.1970
H3	1.0921	1.7771		1.7794	2.1401	2.5042	2.6650	3.3302	4.3217	5.1808	4.7854	4.0078	4.4560	4.7080
H4	1.0920	1.7818	1.7794		2.1334	3.0643	2.6558	2.6285	3.7350	4.2902	4.5237	3.5960	3.7047	4.5745
C5	1.5056	2.1440	2.1401	2.1334		1.1049	1.4173	1.4038	2.2231	3.1596	2.6640	2.2918	3.0057	3.0678
H6	2.1664	2.4991	2.5042	3.0643	1.1049		2.0557	2.0545	2.6374	3.6706	2.6140	2.8518	3.7789	3.3224
O7	2.4041	3.3476	2.6650	2.6558	1.4173	2.0557		2.2598	2.3216	3.2289	2.8744	1.4177	2.0576	2.0708
O8	2.3902	2.6765	3.3302	2.6285	1.4038	2.0545	2.2598		1.4116	2.0415	2.0742	2.3002	2.8518	3.2104
C9	3.5509	4.0143	4.3217	3.7350	2.2231	2.6374	2.3216	1.4116		1.0910	1.0999	1.5316	2.1911	2.1997
H10	4.3100	4.6990	5.1808	4.2902	3.1596	3.6706	3.2289	2.0415	1.0910		1.7848	2.2155	2.4279	2.8404
H11	4.1110	4.4541	4.7854	4.5237	2.6640	2.6140	2.8744	2.0742	1.0999	1.7848		2.1851	3.0559	2.3955
C12	3.5235	4.3331	4.0078	3.5960	2.2918	2.8518	1.4177	2.3002	1.5316	2.2155	2.1851		1.0958	1.0951
H13	3.9439	4.8088	4.4560	3.7047	3.0057	3.7789	2.0576	2.8518	2.1911	2.4279	3.0559	1.0958		1.7810
H14	4.3830	5.1970	4.7080	4.5745	3.0678	3.3224	2.0708	3.2104	2.1997	2.8404	2.3955	1.0951	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.247	C1	C5	O7	110.638
C1	C5	O8	110.433	H2	C1	H3	108.869
H2	C1	H4	109.306	H2	C1	C5	110.205
H3	C1	H4	109.119	H3	C1	C5	109.919
H4	C1	C5	109.401	C5	O7	C12	107.874
C5	O8	C9	104.298	H6	C5	O7	108.543
H6	C5	O8	109.385	O7	C5	O8	106.459
O7	C12	C9	103.776	O7	C12	H13	109.220
O7	C12	H14	110.336	O8	C9	H10	108.642
O8	C9	H11	110.745	O8	C9	C12	102.724
C9	C12	H13	111.945	C9	C12	H14	112.685
H10	C9	H11	109.101	H10	C9	C12	114.248
H11	C9	C12	111.210	H13	C12	H14	108.767

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

using model chemistry: mPW1PW91/6-31G*

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	-0.537
2	H	0.183
3	H	0.186
4	H	0.189
5	C	0.347
6	H	0.138
7	O	-0.508
8	O	-0.484
9	C	-0.127
10	H	0.188
11	H	0.164
12	C	-0.078
13	H	0.171
14	H	0.167

	x	y	z	Total
	1.086	-0.244	0.356	1.168
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	148.616
(<r²>)^1/2	12.191

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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