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	hartrees
Energy at 0K	-305.956985
Energy at 298.15K	-305.967746
HF Energy	-305.956985
Nuclear repulsion energy	265.688054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	2946	50.36
2	A	3251	2941	34.71
3	A	3243	2934	25.47
4	A	3218	2911	52.21
5	A	3185	2881	66.53
6	A	3176	2873	20.22
7	A	3151	2851	61.95
8	A	3106	2809	89.66
9	A	1665	1506	0.61
10	A	1648	1491	3.59
11	A	1605	1452	18.38
12	A	1604	1451	6.52
13	A	1580	1429	71.89
14	A	1528	1382	16.38
15	A	1522	1377	2.42
16	A	1515	1371	1.03
17	A	1470	1330	0.63
18	A	1369	1238	29.07
19	A	1342	1214	4.50
20	A	1296	1172	220.92
21	A	1276	1154	51.38
22	A	1241	1122	45.66
23	A	1223	1107	42.04
24	A	1189	1076	6.95
25	A	1153	1043	46.62
26	A	1025	927	12.73
27	A	984	890	51.22
28	A	952	861	3.86
29	A	922	834	4.25
30	A	766	693	2.31
31	A	748	677	4.70
32	A	541	489	5.62
33	A	358	324	5.76
34	A	248	224	0.07
35	A	201	181	4.90
36	A	64	58	5.31

Atom	x (Å)	y (Å)	z (Å)
C1	-2.071	0.011	-0.204
H2	-2.611	-0.895	0.039
H3	-2.613	0.859	0.193
H4	-2.001	0.106	-1.279
C5	-0.691	-0.039	0.395
H6	-0.744	-0.139	1.479
O7	0.036	1.115	0.087
O8	0.041	-1.097	-0.127
C9	1.388	-0.753	0.021
H10	1.971	-1.277	-0.719
H11	1.743	-1.027	1.011
C12	1.371	0.765	-0.169
H13	1.625	1.051	-1.181
H14	2.033	1.279	0.517

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0825	1.0822	1.0818	1.5049	2.1483	2.3959	2.3861	3.5487	4.2735	4.1346	3.5240	3.9618	4.3555
H2	1.0825		1.7610	1.7646	2.1322	2.4758	3.3237	2.6650	4.0011	4.6604	4.4629	4.3197	4.8189	5.1501
H3	1.0822	1.7610		1.7632	2.1304	2.4777	2.6626	3.3123	4.3160	5.1389	4.8159	4.0014	4.4590	4.6758
H4	1.0818	1.7646	1.7632		2.1310	3.0414	2.6519	2.6361	3.7303	4.2441	4.5330	3.6116	3.7487	4.5693
C5	1.5049	2.1322	2.1304	2.1310		1.0903	1.3978	1.3889	2.2293	3.1406	2.6980	2.2842	3.0060	3.0287
H6	2.1483	2.4758	2.4777	3.0414	1.0903		2.0297	2.0286	2.6546	3.6747	2.6821	2.8301	3.7561	3.2638
O7	2.3959	3.3237	2.6626	2.6519	1.3978	2.0297		2.2223	2.3064	3.1808	2.8903	1.4041	2.0340	2.0498
O8	2.3861	2.6650	3.3123	2.6361	1.3889	2.0286	2.2223		1.3976	2.0270	2.0482	2.2891	2.8699	3.1670
C9	3.5487	4.0011	4.3160	3.7303	2.2293	2.6546	2.3064	1.3976		1.0790	1.0863	1.5298	2.1812	2.1889
H10	4.2735	4.6604	5.1389	4.2441	3.1406	3.6747	3.1808	2.0270	1.0790		1.7627	2.1987	2.3992	2.8400
H11	4.1346	4.4629	4.8159	4.5330	2.6980	2.6821	2.8903	2.0482	1.0863	1.7627		2.1769	3.0226	2.3759
C12	3.5240	4.3197	4.0014	3.6116	2.2842	2.8301	1.4041	2.2891	1.5298	2.1987	2.1769		1.0824	1.0824
H13	3.9618	4.8189	4.4590	3.7487	3.0060	3.7561	2.0340	2.8699	2.1812	2.3992	3.0226	1.0824		1.7610
H14	4.3555	5.1501	4.6758	4.5693	3.0287	3.2638	2.0498	3.1670	2.1889	2.8400	2.3759	1.0824	1.7610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.736	C1	C5	O7	111.209
C1	C5	O8	111.028	H2	C1	H3	108.878
H2	C1	H4	109.239	H2	C1	C5	109.913
H3	C1	H4	109.136	H3	C1	C5	109.787
H4	C1	C5	109.866	C5	O7	C12	109.221
C5	O8	C9	106.269	H6	C5	O7	108.700
H6	C5	O8	109.233	O7	C5	O8	105.782
O7	C12	C9	103.562	O7	C12	H13	109.088
O7	C12	H14	110.378	O8	C9	H10	109.191
O8	C9	H11	110.467	O8	C9	C12	102.781
C9	C12	H13	112.093	C9	C12	H14	112.718
H10	C9	H11	108.994	H10	C9	C12	113.749
H11	C9	C12	111.506	H13	C12	H14	108.870

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

using model chemistry: HF/daug-cc-pVTZ

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	-1.330
2	H	0.235
3	H	0.257
4	H	0.412
5	C	0.687
6	H	0.798
7	O	-0.736
8	O	-0.910
9	C	-0.605
10	H	0.599
11	H	0.355
12	C	-0.669
13	H	0.481
14	H	0.426

	x	y	z	Total
	1.163	-0.183	0.455	1.262
CHELPG
AIM
ESP

	x	y	z
x	8.861	0.013	-0.099
y	0.013	7.169	-0.086
z	-0.099	-0.086	6.940

<r²>	148.017
(<r²>)^1/2	12.166

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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