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	hartrees
Energy at 0K	-57.989576
Energy at 298.15K	-58.000275
Nuclear repulsion energy	147.208643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3328	2988	111.86
2	A	3324	2985	42.90
3	A	3314	2976	48.73
4	A	3297	2961	56.10
5	A	3256	2924	97.36
6	A	3240	2910	36.77
7	A	3230	2900	90.06
8	A	3194	2868	114.73
9	A	1675	1504	0.56
10	A	1655	1486	2.22
11	A	1617	1452	33.26
12	A	1615	1450	2.22
13	A	1596	1433	62.23
14	A	1532	1376	34.63
15	A	1524	1369	3.99
16	A	1519	1364	14.60
17	A	1467	1317	0.27
18	A	1365	1226	30.39
19	A	1336	1200	5.52
20	A	1300	1167	219.87
21	A	1276	1146	46.16
22	A	1243	1117	57.83
23	A	1223	1099	36.14
24	A	1196	1074	7.04
25	A	1162	1043	49.34
26	A	1030	925	16.19
27	A	990	889	57.19
28	A	941	845	5.15
29	A	923	829	3.81
30	A	757	680	1.86
31	A	745	669	6.40
32	A	534	480	7.32
33	A	348	312	6.11
34	A	245	220	0.11
35	A	202	181	6.76
36	A	57	51	5.90

Atom	x (Å)	y (Å)	z (Å)
C1	-2.089	0.011	-0.182
H2	-2.628	-0.902	0.076
H3	-2.624	0.868	0.227
H4	-2.036	0.105	-1.266
C5	-0.682	-0.039	0.393
H6	-0.703	-0.140	1.484
O7	0.036	1.127	0.060
O8	0.042	-1.105	-0.154
C9	1.399	-0.764	0.018
H10	1.990	-1.282	-0.731
H11	1.741	-1.059	1.013
C12	1.391	0.773	-0.147
H13	1.684	1.083	-1.149
H14	2.029	1.274	0.582

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0904	1.0901	1.0896	1.5209	2.1732	2.4128	2.4061	3.5785	4.3145	4.1525	3.5631	4.0402	4.3746
H2	1.0904		1.7757	1.7789	2.1519	2.5040	3.3484	2.6875	4.0291	4.7033	4.4710	4.3596	4.9022	5.1645
H3	1.0901	1.7757		1.7773	2.1498	2.5077	2.6785	3.3389	4.3465	5.1803	4.8359	4.0339	4.5283	4.6842
H4	1.0896	1.7789	1.7773		2.1464	3.0667	2.6642	2.6498	3.7684	4.2920	4.5624	3.6670	3.8487	4.6159
C5	1.5209	2.1519	2.1498	2.1464		1.0965	1.4090	1.4002	2.2353	3.1545	2.7012	2.2910	3.0388	3.0179
H6	2.1732	2.5040	2.5077	3.0667	1.0965		2.0445	2.0422	2.6377	3.6696	2.6532	2.8068	3.7585	3.2053
O7	2.4128	3.3484	2.6785	2.6642	1.4090	2.0445		2.2422	2.3311	3.2010	2.9309	1.4152	2.0441	2.0649
O8	2.4061	2.6875	3.3389	2.6498	1.4002	2.0422	2.2422		1.4090	2.0395	2.0614	2.3128	2.9111	3.1859
C9	3.5785	4.0291	4.3465	3.7684	2.2353	2.6377	2.3311	1.4090		1.0858	1.0928	1.5467	2.2032	2.2073
H10	4.3145	4.7033	5.1803	4.2920	3.1545	3.6696	3.2010	2.0395	1.0858		1.7758	2.2197	2.4210	2.8745
H11	4.1525	4.4710	4.8359	4.5624	2.7012	2.6532	2.9309	2.0614	1.0928	1.7758		2.1961	3.0431	2.3897
C12	3.5631	4.3596	4.0339	3.6670	2.2910	2.8068	1.4152	2.3128	1.5467	2.2197	2.1961		1.0891	1.0900
H13	4.0402	4.9022	4.5283	3.8487	3.0388	3.7585	2.0441	2.9111	2.2032	2.4210	3.0431	1.0891		1.7751
H14	4.3746	5.1645	4.6842	4.6159	3.0179	3.2053	2.0649	3.1859	2.2073	2.8745	2.3897	1.0900	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.223	C1	C5	O7	110.818
C1	C5	O8	110.840	H2	C1	H3	109.048
H2	C1	H4	109.379	H2	C1	C5	109.889
H3	C1	H4	109.257	H3	C1	C5	109.743
H4	C1	C5	109.508	C5	O7	C12	108.425
C5	O8	C9	105.441	H6	C5	O7	108.735
H6	C5	O8	109.155	O7	C5	O8	105.904
O7	C12	C9	103.732	O7	C12	H13	108.729
O7	C12	H14	110.347	O8	C9	H10	108.984
O8	C9	H11	110.328	O8	C9	C12	102.882
C9	C12	H13	112.257	C9	C12	H14	112.529
H10	C9	H11	109.199	H10	C9	C12	113.809
H11	C9	C12	111.458	H13	C12	H14	109.091

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

using model chemistry: HF/CEP-31G*

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	-0.194
2	H	0.110
3	H	0.113
4	H	0.116
5	C	0.007
6	H	0.109
7	O	-0.354
8	O	-0.350
9	C	-0.011
10	H	0.175
11	H	0.087
12	C	-0.048
13	H	0.123
14	H	0.117

	x	y	z	Total
	1.351	-0.204	0.645	1.511
CHELPG
AIM
ESP

	x	y	z
x	7.567	0.003	-0.109
y	0.003	5.969	-0.088
z	-0.109	-0.088	5.672

<r²>	124.565
(<r²>)^1/2	11.161

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

using model chemistry: HF/CEP-31G*

States and conformations

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