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	hartrees
Energy at 0K	-307.564173
Energy at 298.15K	-307.574478
HF Energy	-307.564173
Nuclear repulsion energy	261.628048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3085	3041	25.86
2	A	3079	3035	21.50
3	A	3064	3020	37.61
4	A	3007	2964	63.58
5	A	2999	2956	12.80
6	A	2968	2925	78.89
7	A	2928	2886	73.58
8	A	2863	2822	115.71
9	A	1499	1478	0.37
10	A	1482	1460	3.19
11	A	1460	1439	2.13
12	A	1459	1438	5.69
13	A	1405	1385	69.55
14	A	1366	1346	1.23
15	A	1355	1336	9.75
16	A	1344	1325	2.28
17	A	1304	1285	0.66
18	A	1221	1204	16.10
19	A	1196	1179	0.81
20	A	1148	1132	33.66
21	A	1123	1107	37.31
22	A	1102	1086	94.05
23	A	1079	1064	53.83
24	A	1020	1005	37.95
25	A	1000	985	56.73
26	A	922	909	11.25
27	A	865	853	7.89
28	A	840	828	41.19
29	A	816	804	29.80
30	A	686	676	1.64
31	A	662	652	2.10
32	A	497	490	3.98
33	A	325	321	5.86
34	A	223	220	1.03
35	A	206	203	3.17
36	A	48	48	3.88

Atom	x (Å)	y (Å)	z (Å)
C1	-2.088	0.013	-0.195
H2	-2.642	-0.899	0.052
H3	-2.627	0.877	0.208
H4	-2.013	0.111	-1.283
C5	-0.699	-0.046	0.399
H6	-0.730	-0.161	1.502
O7	0.034	1.150	0.089
O8	0.036	-1.123	-0.164
C9	1.400	-0.757	0.052
H10	2.021	-1.315	-0.655
H11	1.707	-1.000	1.084
C12	1.390	0.765	-0.184
H13	1.631	1.021	-1.225
H14	2.078	1.298	0.487

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0957	1.0951	1.0948	1.5124	2.1807	2.4240	2.4090	3.5806	4.3432	4.1312	3.5587	3.9883	4.4130
H2	1.0957		1.7831	1.7884	2.1507	2.5110	3.3707	2.6962	4.0446	4.7351	4.4714	4.3688	4.8556	5.2249
H3	1.0951	1.7831		1.7856	2.1464	2.5198	2.6772	3.3508	4.3484	5.2111	4.8033	4.0375	4.4947	4.7320
H4	1.0948	1.7884	1.7856		2.1401	3.0782	2.6742	2.6405	3.7658	4.3247	4.5469	3.6356	3.7560	4.6130
C5	1.5124	2.1507	2.1464	2.1401		1.1094	1.4365	1.4193	2.2425	3.1806	2.6769	2.3152	3.0333	3.0863
H6	2.1807	2.5110	2.5198	3.0782	1.1094		2.0729	2.0700	2.6443	3.6808	2.6108	2.8620	3.7951	3.3228
O7	2.4240	3.3707	2.6772	2.6742	1.4365	2.0729		2.2869	2.3463	3.2529	2.9002	1.4360	2.0722	2.0881
O8	2.4090	2.6962	3.3508	2.6405	1.4193	2.0700	2.2869		1.4284	2.0541	2.0892	2.3236	2.8750	3.2335
C9	3.5806	4.0446	4.3484	3.7658	2.2425	2.6443	2.3463	1.4284		1.0937	1.1039	1.5406	2.2012	2.2078
H10	4.3432	4.7351	5.2111	4.3247	3.1806	3.6808	3.2529	2.0541	1.0937		1.7943	2.2246	2.4364	2.8525
H11	4.1312	4.4714	4.8033	4.5469	2.6769	2.6108	2.9002	2.0892	1.1039	1.7943		2.1959	3.0691	2.4027
C12	3.5587	4.3688	4.0375	3.6356	2.3152	2.8620	1.4360	2.3236	1.5406	2.2246	2.1959		1.0990	1.0988
H13	3.9883	4.8556	4.4947	3.7560	3.0333	3.7951	2.0722	2.8750	2.2012	2.4364	3.0691	1.0990		1.7914
H14	4.4130	5.2249	4.7320	4.6130	3.0863	3.3228	2.0881	3.2335	2.2078	2.8525	2.4027	1.0988	1.7914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.547	C1	C5	O7	110.970
C1	C5	O8	110.534	H2	C1	H3	108.894
H2	C1	H4	109.378	H2	C1	C5	110.219
H3	C1	H4	109.181	H3	C1	C5	109.935
H4	C1	C5	109.214	C5	O7	C12	107.762
C5	O8	C9	104.250	H6	C5	O7	107.913
H6	C5	O8	109.151	O7	C5	O8	106.558
O7	C12	C9	103.737	O7	C12	H13	109.361
O7	C12	H14	110.025	O8	C9	H10	108.528
O8	C9	H11	110.556	O8	C9	C12	102.620
C9	C12	H13	111.578	C9	C12	H14	112.875
H10	C9	H11	109.427	H10	C9	C12	114.325
H11	C9	C12	111.169	H13	C12	H14	109.124

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

using model chemistry: B97D3/6-311G**

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	-0.273
2	H	0.114
3	H	0.117
4	H	0.112
5	C	0.204
6	H	0.087
7	O	-0.370
8	O	-0.341
9	C	-0.085
10	H	0.119
11	H	0.105
12	C	0.007
13	H	0.105
14	H	0.099

	x	y	z	Total
	1.079	-0.270	0.390	1.179
CHELPG
AIM
ESP

	x	y	z
x	9.409	0.040	-0.103
y	0.040	6.990	-0.144
z	-0.103	-0.144	7.031

<r²>	151.109
(<r²>)^1/2	12.293

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

using model chemistry: B97D3/6-311G**

States and conformations

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