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	hartrees
Energy at 0K	-307.595292
Energy at 298.15K	-307.605832
HF Energy	-307.595292
Nuclear repulsion energy	263.412596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3027	16.93
2	A	3175	3024	14.80
3	A	3167	3017	26.23
4	A	3119	2971	40.02
5	A	3082	2936	10.29
6	A	3068	2923	62.90
7	A	3033	2889	57.98
8	A	2971	2831	94.12
9	A	1546	1473	0.47
10	A	1523	1451	5.17
11	A	1501	1430	3.14
12	A	1495	1424	9.14
13	A	1457	1388	78.81
14	A	1407	1340	6.14
15	A	1401	1334	10.11
16	A	1397	1331	0.80
17	A	1355	1291	0.40
18	A	1268	1208	28.21
19	A	1240	1181	2.02
20	A	1202	1145	143.59
21	A	1178	1122	31.96
22	A	1152	1098	55.69
23	A	1132	1079	48.85
24	A	1105	1053	13.95
25	A	1077	1026	44.20
26	A	965	919	7.29
27	A	904	861	47.86
28	A	898	855	8.36
29	A	866	825	7.35
30	A	711	677	1.69
31	A	689	656	3.36
32	A	514	489	5.02
33	A	338	322	6.71
34	A	233	222	0.32
35	A	213	203	4.69
36	A	69	66	6.02

Atom	x (Å)	y (Å)	z (Å)
C1	-2.076	0.013	-0.212
H2	-2.627	-0.906	0.002
H3	-2.626	0.861	0.203
H4	-1.985	0.139	-1.294
C5	-0.700	-0.053	0.402
H6	-0.746	-0.181	1.497
O7	0.038	1.133	0.129
O8	0.045	-1.111	-0.153
C9	1.399	-0.744	0.051
H10	2.023	-1.309	-0.643
H11	1.701	-0.968	1.084
C12	1.371	0.762	-0.209
H13	1.550	0.995	-1.265
H14	2.079	1.320	0.412

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0929	1.0924	1.0923	1.5085	2.1748	2.4174	2.4015	3.5671	4.3287	4.1129	3.5282	3.9016	4.4003
H2	1.0929		1.7789	1.7840	2.1447	2.5095	3.3585	2.6838	4.0296	4.7113	4.4618	4.3374	4.7607	5.2217
H3	1.0924	1.7789		1.7809	2.1412	2.5096	2.6796	3.3392	4.3365	5.1998	4.7805	4.0201	4.4286	4.7321
H4	1.0923	1.7840	1.7809		2.1358	3.0699	2.6659	2.6425	3.7469	4.3103	4.5240	3.5816	3.6371	4.5624
C5	1.5085	2.1447	2.1412	2.1358		1.1034	1.4238	1.4081	2.2382	3.1758	2.6592	2.3087	2.9900	3.0997
H6	2.1748	2.5095	2.5096	3.0699	1.1034		2.0529	2.0521	2.6476	3.6767	2.6038	2.8785	3.7792	3.3782
O7	2.4174	3.3585	2.6796	2.6659	1.4238	2.0529		2.2619	2.3201	3.2401	2.8449	1.4245	2.0609	2.0683
O8	2.4015	2.6838	3.3392	2.6425	1.4081	2.0521	2.2619		1.4180	2.0475	2.0722	2.2960	2.8173	3.2194
C9	3.5671	4.0296	4.3365	3.7469	2.2382	2.6476	2.3201	1.4180		1.0907	1.0993	1.5288	2.1858	2.2026
H10	4.3287	4.7113	5.1998	4.3103	3.1758	3.6767	3.2401	2.0475	1.0907		1.7896	2.2138	2.4323	2.8329
H11	4.1129	4.4618	4.7805	4.5240	2.6592	2.6038	2.8449	2.0722	1.0993	1.7896		2.1854	3.0648	2.4146
C12	3.5282	4.3374	4.0201	3.5816	2.3087	2.8785	1.4245	2.2960	1.5288	2.2138	2.1854		1.0954	1.0941
H13	3.9016	4.7607	4.4286	3.6371	2.9900	3.7792	2.0609	2.8173	2.1858	2.4323	3.0648	1.0954		1.7874
H14	4.4003	5.2217	4.7321	4.5624	3.0997	3.3782	2.0683	3.2194	2.2026	2.8329	2.4146	1.0941	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.807	C1	C5	O7	111.024
C1	C5	O8	110.806	H2	C1	H3	108.982
H2	C1	H4	109.446	H2	C1	C5	110.033
H3	C1	H4	109.205	H3	C1	C5	109.790
H4	C1	C5	109.368	C5	O7	C12	108.300
C5	O8	C9	104.739	H6	C5	O7	107.983
H6	C5	O8	108.986	O7	C5	O8	106.021
O7	C12	C9	103.492	O7	C12	H13	109.044
O7	C12	H14	109.713	O8	C9	H10	108.698
O8	C9	H11	110.167	O8	C9	C12	102.298
C9	C12	H13	111.746	C9	C12	H14	113.189
H10	C9	H11	109.603	H10	C9	C12	114.334
H11	C9	C12	111.468	H13	C12	H14	109.448

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

using model chemistry: wB97X-D/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	-0.474
2	H	0.170
3	H	0.172
4	H	0.182
5	C	0.069
6	H	0.123
7	O	-0.380
8	O	-0.351
9	C	-0.053
10	H	0.162
11	H	0.143
12	C	-0.061
13	H	0.150
14	H	0.146

	x	y	z	Total
	1.201	-0.261	0.490	1.323
CHELPG
AIM
ESP

	x	y	z
x	9.045	0.027	-0.113
y	0.027	7.235	-0.102
z	-0.113	-0.102	7.184

<r²>	149.634
(<r²>)^1/2	12.233

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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