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	hartrees
Energy at 0K	-307.553096
Energy at 298.15K	-307.563537
Nuclear repulsion energy	263.988976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3053	13.12
2	A	3174	3051	11.35
3	A	3142	3020	27.16
4	A	3090	2970	46.18
5	A	3075	2956	8.47
6	A	3043	2925	64.14
7	A	3006	2890	57.92
8	A	2934	2820	105.38
9	A	1503	1445	0.57
10	A	1481	1424	8.23
11	A	1455	1398	16.94
12	A	1452	1396	6.66
13	A	1428	1372	66.20
14	A	1377	1323	15.31
15	A	1370	1317	1.54
16	A	1364	1311	3.67
17	A	1320	1269	0.56
18	A	1246	1198	29.18
19	A	1217	1170	1.72
20	A	1191	1145	141.42
21	A	1157	1112	25.12
22	A	1131	1088	61.13
23	A	1109	1066	45.81
24	A	1092	1050	23.55
25	A	1070	1029	28.99
26	A	966	928	9.63
27	A	892	858	27.48
28	A	887	853	15.96
29	A	859	825	8.39
30	A	707	679	1.56
31	A	672	646	2.52
32	A	501	481	4.65
33	A	325	313	5.07
34	A	225	216	0.64
35	A	206	198	3.07
36	A	64	61	3.77

Atom	x (Å)	y (Å)	z (Å)
C1	-2.070	0.014	-0.191
H2	-2.627	-0.899	0.054
H3	-2.609	0.878	0.215
H4	-1.999	0.114	-1.282
C5	-0.688	-0.047	0.394
H6	-0.723	-0.169	1.499
O7	0.034	1.133	0.090
O8	0.038	-1.108	-0.168
C9	1.384	-0.749	0.053
H10	2.018	-1.308	-0.645
H11	1.689	-0.991	1.089
C12	1.374	0.759	-0.182
H13	1.618	1.015	-1.225
H14	2.067	1.296	0.484

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0973	1.0968	1.0972	1.5019	2.1691	2.3997	2.3881	3.5463	4.3206	4.0962	3.5237	3.9594	4.3836
H2	1.0973		1.7845	1.7904	2.1446	2.4991	3.3485	2.6826	4.0145	4.7154	4.4393	4.3374	4.8298	5.1999
H3	1.0968	1.7845		1.7879	2.1400	2.5106	2.6584	3.3316	4.3157	5.1898	4.7678	4.0046	4.4683	4.7026
H4	1.0972	1.7904	1.7879		2.1334	3.0723	2.6557	2.6233	3.7384	4.3088	4.5211	3.6059	3.7286	4.5879
C5	1.5019	2.1446	2.1400	2.1334		1.1121	1.4172	1.4028	2.2147	3.1612	2.6503	2.2878	3.0118	3.0669
H6	2.1691	2.4991	2.5106	3.0723	1.1121		2.0624	2.0592	2.6206	3.6616	2.5809	2.8427	3.7819	3.3105
O7	2.3997	3.3485	2.6584	2.6557	1.4172	2.0624		2.2562	2.3174	3.2310	2.8723	1.4174	2.0623	2.0774
O8	2.3881	2.6826	3.3316	2.6233	1.4028	2.0592	2.2562		1.4110	2.0465	2.0784	2.2959	2.8501	3.2131
C9	3.5463	4.0145	4.3157	3.7384	2.2147	2.6206	2.3174	1.4110		1.0961	1.1059	1.5268	2.1916	2.1992
H10	4.3206	4.7154	5.1898	4.3088	3.1612	3.6616	3.2310	2.0465	1.0961		1.7929	2.2148	2.4283	2.8394
H11	4.0962	4.4393	4.7678	4.5211	2.6503	2.5809	2.8723	2.0784	1.1059	1.7929		2.1854	3.0632	2.3958
C12	3.5237	4.3374	4.0046	3.6059	2.2878	2.8427	1.4174	2.2959	1.5268	2.2148	2.1854		1.1018	1.1010
H13	3.9594	4.8298	4.4683	3.7286	3.0118	3.7819	2.0623	2.8501	2.1916	2.4283	3.0632	1.1018		1.7890
H14	4.3836	5.1999	4.7026	4.5879	3.0669	3.3105	2.0774	3.2131	2.1992	2.8394	2.3958	1.1010	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.279	C1	C5	O7	110.552
C1	C5	O8	110.552	H2	C1	H3	108.845
H2	C1	H4	109.351	H2	C1	C5	110.230
H3	C1	H4	109.153	H3	C1	C5	109.893
H4	C1	C5	109.349	C5	O7	C12	107.626
C5	O8	C9	103.824	H6	C5	O7	108.656
H6	C5	O8	109.386	O7	C5	O8	106.270
O7	C12	C9	103.765	O7	C12	H13	109.256
O7	C12	H14	110.528	O8	C9	H10	108.780
O8	C9	H11	110.751	O8	C9	C12	102.725
C9	C12	H13	111.957	C9	C12	H14	112.620
H10	C9	H11	109.015	H10	C9	C12	114.206
H11	C9	C12	111.206	H13	C12	H14	108.620

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

using model chemistry: B1B95/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	0.008
2	H	0.039
3	H	0.043
4	H	0.039
5	C	0.186
6	H	0.002
7	O	-0.338
8	O	-0.310
9	C	0.081
10	H	0.035
11	H	0.022
12	C	0.136
13	H	0.031
14	H	0.024

	x	y	z	Total
	0.981	-0.249	0.364	1.075
CHELPG
AIM
ESP

	x	y	z
x	8.772	0.036	-0.119
y	0.036	6.522	-0.148
z	-0.119	-0.148	6.663

<r²>	148.629
(<r²>)^1/2	12.191

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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