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	hartrees
Energy at 0K	-302.000254
Energy at 298.15K	-302.010701
Nuclear repulsion energy	259.458620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3768	3077	0.01
2	A	3764	3073	0.00
3	A	3699	3020	4.57
4	A	3692	3015	0.35
5	A	3578	2922	0.47
6	A	3578	2921	5.30
7	A	3572	2916	2.44
8	A	3516	2871	23.15
9	A	1831	1495	1.11
10	A	1816	1483	0.74
11	A	1812	1479	0.23
12	A	1809	1477	1.47
13	A	1731	1413	18.69
14	A	1655	1351	58.71
15	A	1649	1347	13.83
16	A	1604	1309	1.66
17	A	1551	1267	21.99
18	A	1469	1199	3.89
19	A	1436	1173	8.46
20	A	1406	1148	6.03
21	A	1392	1136	40.22
22	A	1323	1080	10.14
23	A	1308	1068	0.71
24	A	1273	1040	1.60
25	A	1259	1028	8.43
26	A	1139	930	5.00
27	A	1086	887	2.76
28	A	1010	825	1.07
29	A	957	782	0.70
30	A	843	688	1.92
31	A	748	611	5.28
32	A	546	446	5.45
33	A	339	277	2.47
34	A	186	152	0.01
35	A	169	138	7.12
36	A	106	86	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	-2.129	-0.000	-0.154
H2	-2.652	-0.883	0.199
H3	-2.651	0.885	0.195
H4	-2.119	-0.002	-1.239
C5	-0.684	-0.000	0.386
H6	-0.693	-0.000	1.494
O7	0.025	1.156	-0.093
O8	0.025	-1.156	-0.093
C9	1.413	-0.779	-0.039
H10	1.926	-1.196	-0.909
H11	1.890	-1.172	0.866
C12	1.413	0.779	-0.039
H13	1.926	1.196	-0.910
H14	1.891	1.173	0.865

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0855	1.0856	1.0853	1.5428	2.1858	2.4447	2.4448	3.6286	4.2945	4.3089	3.6285	4.2939	4.3093
H2	1.0855		1.7681	1.7687	2.1658	2.5091	3.3775	2.7069	4.0741	4.7213	4.6005	4.3988	5.1486	5.0309
H3	1.0856	1.7681		1.7687	2.1657	2.5107	2.7044	3.3775	4.3981	5.1478	5.0304	4.0722	4.7182	4.5996
H4	1.0853	1.7687	1.7687		2.1689	3.0832	2.6931	2.6912	3.8113	4.2310	4.6775	3.8120	4.2315	4.6787
C5	1.5428	2.1658	2.1657	2.1689		1.1079	1.4376	1.4376	2.2770	3.1494	2.8687	2.2771	3.1492	2.8692
H6	2.1858	2.5091	2.5107	3.0832	1.1079		2.0901	2.0901	2.7189	3.7502	2.9054	2.7193	3.7504	2.9065
O7	2.4447	3.3775	2.7044	2.6931	1.4376	2.0901		2.3114	2.3824	3.1325	3.1336	1.4397	2.0696	2.0974
O8	2.4448	2.7069	3.3775	2.6912	1.4376	2.0901	2.3114		1.4396	2.0696	2.0975	2.3823	3.1319	3.1340
C9	3.6286	4.0741	4.3981	3.8113	2.2770	2.7189	2.3824	1.4396		1.0927	1.0955	1.5588	2.2185	2.2037
H10	4.2945	4.7213	5.1478	4.2310	3.1494	3.7502	3.1325	2.0696	1.0927		1.7754	2.2185	2.3913	2.9596
H11	4.3089	4.6005	5.0304	4.6775	2.8687	2.9054	3.1336	2.0975	1.0955	1.7754		2.2037	2.9601	2.3455
C12	3.6285	4.3988	4.0722	3.8120	2.2771	2.7193	1.4397	2.3823	1.5588	2.2185	2.2037		1.0927	1.0955
H13	4.2939	5.1486	4.7182	4.2315	3.1492	3.7504	2.0696	3.1319	2.2185	2.3913	2.9601	1.0927		1.7754
H14	4.3093	5.0309	4.5996	4.6787	2.8692	2.9065	2.0974	3.1340	2.2037	2.9596	2.3455	1.0955	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.017	C1	C5	O7	110.166
C1	C5	O8	110.176	H2	C1	H3	109.050
H2	C1	H4	109.132	H2	C1	C5	109.753
H3	C1	H4	109.132	H3	C1	C5	109.743
H4	C1	C5	110.010	C5	O7	C12	104.635
C5	O8	C9	104.630	H6	C5	O7	109.712
H6	C5	O8	109.711	O7	C5	O8	107.010
O7	C12	C9	105.156	O7	C12	H13	108.854
O7	C12	H14	110.924	O8	C9	H10	108.853
O8	C9	H11	110.926	O8	C9	C12	105.150
C9	C12	H13	112.393	C9	C12	H14	111.039
H10	C9	H11	108.452	H10	C9	C12	112.393
H11	C9	C12	111.043	H13	C12	H14	108.450

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

using model chemistry: HF/STO-3G

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	-0.188
2	H	0.073
3	H	0.073
4	H	0.076
5	C	0.186
6	H	0.044
7	O	-0.252
8	O	-0.252
9	C	-0.011
10	H	0.071
11	H	0.060
12	C	-0.011
13	H	0.070
14	H	0.060

	x	y	z	Total
	0.870	-0.000	0.680	1.105
CHELPG
AIM
ESP

	x	y	z
x	4.854	0.000	-0.227
y	0.000	3.289	-0.000
z	-0.227	-0.000	3.185

<r²>	152.808
(<r²>)^1/2	12.362

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

using model chemistry: HF/STO-3G

States and conformations

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