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	hartrees
Energy at 0K	-305.850240
Energy at 298.15K	-305.861037
Nuclear repulsion energy	265.482832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	2966	46.22
2	A	3284	2965	41.54
3	A	3276	2957	27.90
4	A	3252	2936	58.06
5	A	3206	2894	55.02
6	A	3201	2889	22.73
7	A	3179	2869	73.90
8	A	3148	2841	91.87
9	A	1675	1512	0.31
10	A	1656	1495	2.28
11	A	1617	1459	22.74
12	A	1615	1458	3.16
13	A	1591	1436	79.16
14	A	1540	1390	21.53
15	A	1532	1382	1.34
16	A	1526	1377	11.50
17	A	1473	1329	1.40
18	A	1373	1240	32.55
19	A	1345	1214	3.63
20	A	1307	1180	239.97
21	A	1280	1155	40.33
22	A	1249	1127	57.92
23	A	1233	1113	29.47
24	A	1193	1076	6.94
25	A	1155	1042	38.71
26	A	1031	930	14.32
27	A	992	896	47.30
28	A	971	876	9.06
29	A	925	835	5.29
30	A	771	695	2.87
31	A	735	663	4.93
32	A	536	484	7.57
33	A	361	326	5.54
34	A	255	230	0.17
35	A	216	195	3.75
36	A	66	60	7.05

Atom	x (Å)	y (Å)	z (Å)
C1	-2.058	0.012	-0.231
H2	-2.608	-0.900	-0.024
H3	-2.615	0.854	0.162
H4	-1.950	0.127	-1.303
C5	-0.696	-0.049	0.411
H6	-0.779	-0.166	1.492
O7	0.039	1.116	0.144
O8	0.046	-1.102	-0.117
C9	1.392	-0.743	0.025
H10	1.982	-1.286	-0.700
H11	1.749	-0.983	1.025
C12	1.355	0.766	-0.209
H13	1.529	1.016	-1.250
H14	2.062	1.309	0.406

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0843	1.0839	1.0833	1.5069	2.1535	2.3992	2.3832	3.5411	4.2694	4.1309	3.4953	3.8627	4.3670
H2	1.0843		1.7644	1.7669	2.1373	2.4864	3.3307	2.6626	4.0029	4.6550	4.4823	4.3022	4.7213	5.1842
H3	1.0839	1.7644		1.7657	2.1353	2.4865	2.6666	3.3142	4.3159	5.1438	4.8132	3.9880	4.3816	4.7059
H4	1.0833	1.7669	1.7657		2.1301	3.0442	2.6498	2.6265	3.6996	4.2212	4.5091	3.5387	3.5913	4.5182
C5	1.5069	2.1373	2.1353	2.1301		1.0909	1.4022	1.3918	2.2340	3.1523	2.6889	2.2919	2.9741	3.0747
H6	2.1535	2.4864	2.4865	3.0442	1.0909		2.0321	2.0350	2.6824	3.6985	2.6972	2.8832	3.7743	3.3807
O7	2.3992	3.3307	2.6666	2.6498	1.4022	2.0321		2.2324	2.3022	3.2026	2.8471	1.4065	2.0432	2.0500
O8	2.3832	2.6626	3.3142	2.6265	1.3918	2.0350	2.2324		1.4003	2.0305	2.0542	2.2824	2.8236	3.1864
C9	3.5411	4.0029	4.3159	3.6996	2.2340	2.6824	2.3022	1.4003		1.0812	1.0884	1.5275	2.1775	2.1925
H10	4.2694	4.6550	5.1438	4.2212	3.1523	3.6985	3.2026	2.0305	1.0812		1.7669	2.2014	2.4104	2.8227
H11	4.1309	4.4823	4.8132	4.5091	2.6889	2.6972	2.8471	2.0542	1.0884	1.7669		2.1762	3.0366	2.3946
C12	3.4953	4.3022	3.9880	3.5387	2.2919	2.8832	1.4065	2.2824	1.5275	2.2014	2.1762		1.0851	1.0839
H13	3.8627	4.7213	4.3816	3.5913	2.9741	3.7743	2.0432	2.8236	2.1775	2.4104	3.0366	1.0851		1.7644
H14	4.3670	5.1842	4.7059	4.5182	3.0747	3.3807	2.0500	3.1864	2.1925	2.8227	2.3946	1.0839	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.973	C1	C5	O7	111.064
C1	C5	O8	110.540	H2	C1	H3	108.929
H2	C1	H4	109.205	H2	C1	C5	110.074
H3	C1	H4	109.122	H3	C1	C5	109.935
H4	C1	C5	109.556	C5	O7	C12	109.366
C5	O8	C9	106.280	H6	C5	O7	108.548
H6	C5	O8	109.509	O7	C5	O8	106.065
O7	C12	C9	103.298	O7	C12	H13	109.504
O7	C12	H14	110.129	O8	C9	H10	109.144
O8	C9	H11	110.628	O8	C9	C12	102.353
C9	C12	H13	111.795	C9	C12	H14	113.102
H10	C9	H11	109.049	H10	C9	C12	114.008
H11	C9	C12	111.485	H13	C12	H14	108.877

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

using model chemistry: HF/6-31G**

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	CHELPG
1	C	-0.343	-0.433
2	H	0.123	0.099
3	H	0.125	0.106
4	H	0.130	0.135
5	C	0.542	0.712
6	H	0.094	-0.043
7	O	-0.670	-0.550
8	O	-0.644	-0.504
9	C	0.052	0.134
10	H	0.136	0.047
11	H	0.113	0.019
12	C	0.108	0.276
13	H	0.119	0.013
14	H	0.116	-0.011

	x	y	z	Total
	1.290	-0.204	0.299	1.340
CHELPG
AIM
ESP

	x	y	z
x	7.705	0.028	-0.183
y	0.028	5.990	-0.103
z	-0.183	-0.103	6.141

<r²>	147.613
(<r²>)^1/2	12.150

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

using model chemistry: HF/6-31G**

States and conformations

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