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	hartrees
Energy at 0K	-307.572716
Energy at 298.15K	-307.583158
Nuclear repulsion energy	263.101609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3053	13.05
2	A	3160	3050	11.98
3	A	3129	3020	28.06
4	A	3078	2970	47.29
5	A	3064	2956	8.88
6	A	3032	2926	64.80
7	A	2996	2891	60.44
8	A	2925	2823	106.71
9	A	1505	1452	0.54
10	A	1485	1433	6.67
11	A	1457	1406	14.28
12	A	1455	1404	5.62
13	A	1428	1378	68.47
14	A	1377	1329	13.64
15	A	1371	1323	1.11
16	A	1366	1318	3.77
17	A	1320	1274	0.53
18	A	1243	1200	25.46
19	A	1216	1173	1.33
20	A	1186	1144	136.06
21	A	1156	1115	28.30
22	A	1130	1091	57.91
23	A	1108	1069	50.28
24	A	1086	1048	23.05
25	A	1064	1027	34.08
26	A	962	928	10.19
27	A	888	857	30.21
28	A	885	854	15.07
29	A	855	825	9.05
30	A	710	685	1.41
31	A	681	657	2.34
32	A	503	486	4.50
33	A	330	318	5.29
34	A	225	218	0.50
35	A	205	198	3.46
36	A	61	59	3.72

Atom	x (Å)	y (Å)	z (Å)
C1	-2.076	0.013	-0.197
H2	-2.634	-0.902	0.051
H3	-2.620	0.879	0.206
H4	-2.004	0.110	-1.290
C5	-0.693	-0.045	0.396
H6	-0.735	-0.160	1.504
O7	0.034	1.138	0.090
O8	0.037	-1.113	-0.157
C9	1.390	-0.753	0.045
H10	2.013	-1.308	-0.670
H11	1.715	-1.003	1.075
C12	1.378	0.763	-0.180
H13	1.626	1.028	-1.223
H14	2.071	1.297	0.492

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0996	1.0991	1.0995	1.5064	2.1725	2.4085	2.3952	3.5585	4.3232	4.1263	3.5349	3.9737	4.3957
H2	1.0996		1.7875	1.7935	2.1498	2.5033	3.3585	2.6875	4.0270	4.7198	4.4694	4.3498	4.8470	5.2119
H3	1.0991	1.7875		1.7912	2.1459	2.5130	2.6694	3.3411	4.3329	5.1977	4.8057	4.0187	4.4828	4.7185
H4	1.0995	1.7935	1.7912		2.1414	3.0798	2.6673	2.6355	3.7481	4.3047	4.5456	3.6189	3.7450	4.6032
C5	1.5064	2.1498	2.1459	2.1414		1.1143	1.4216	1.4073	2.2280	3.1705	2.6792	2.2965	3.0249	3.0737
H6	2.1725	2.5033	2.5130	3.0798	1.1143		2.0673	2.0652	2.6455	3.6873	2.6274	2.8556	3.7977	3.3196
O7	2.4085	3.3585	2.6694	2.6673	1.4216	2.0673		2.2647	2.3273	3.2366	2.8948	1.4213	2.0665	2.0823
O8	2.3952	2.6875	3.3411	2.6355	1.4073	2.0652	2.2647		1.4148	2.0503	2.0846	2.3063	2.8716	3.2197
C9	3.5585	4.0270	4.3329	3.7481	2.2280	2.6455	2.3273	1.4148		1.0985	1.1081	1.5327	2.1990	2.2056
H10	4.3232	4.7198	5.1977	4.3047	3.1705	3.6873	3.2366	2.0503	1.0985		1.7954	2.2208	2.4318	2.8529
H11	4.1263	4.4694	4.8057	4.5456	2.6792	2.6274	2.8948	2.0846	1.1081	1.7954		2.1927	3.0680	2.3991
C12	3.5349	4.3498	4.0187	3.6189	2.2965	2.8556	1.4213	2.3063	1.5327	2.2208	2.1927		1.1040	1.1033
H13	3.9737	4.8470	4.4828	3.7450	3.0249	3.7977	2.0665	2.8716	2.1990	2.4318	3.0680	1.1040		1.7921
H14	4.3957	5.2119	4.7185	4.6032	3.0737	3.3196	2.0823	3.2197	2.2056	2.8529	2.3991	1.1033	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.108	C1	C5	O7	110.658
C1	C5	O8	110.540	H2	C1	H3	108.778
H2	C1	H4	109.289	H2	C1	C5	110.189
H3	C1	H4	109.118	H3	C1	C5	109.912
H4	C1	C5	109.534	C5	O7	C12	107.761
C5	O8	C9	104.274	H6	C5	O7	108.611
H6	C5	O8	109.424	O7	C5	O8	106.366
O7	C12	C9	103.910	O7	C12	H13	109.194
O7	C12	H14	110.499	O8	C9	H10	108.678
O8	C9	H11	110.845	O8	C9	C12	102.901
C9	C12	H13	112.006	C9	C12	H14	112.574
H10	C9	H11	108.910	H10	C9	C12	114.122
H11	C9	C12	111.247	H13	C12	H14	108.568

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.035
2	H	0.051
3	H	0.054
4	H	0.050
5	C	0.193
6	H	0.014
7	O	-0.343
8	O	-0.315
9	C	0.061
10	H	0.047
11	H	0.033
12	C	0.113
13	H	0.042
14	H	0.035

	x	y	z	Total
	0.990	-0.239	0.347	1.076
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>	149.538
(<r²>)^1/2	12.229

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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