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	hartrees
Energy at 0K	-307.336394
Energy at 298.15K	-307.346881
HF Energy	-307.049630
Nuclear repulsion energy	262.851146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3030	18.42
2	A	3183	3021	15.07
3	A	3173	3012	29.87
4	A	3131	2972	46.24
5	A	3101	2943	8.14
6	A	3081	2925	57.28
7	A	3050	2895	54.98
8	A	2999	2846	93.18
9	A	1580	1499	0.62
10	A	1560	1480	1.93
11	A	1536	1458	4.24
12	A	1536	1458	1.37
13	A	1480	1405	73.53
14	A	1438	1365	4.37
15	A	1425	1352	13.54
16	A	1411	1340	8.24
17	A	1363	1294	1.38
18	A	1276	1211	18.54
19	A	1248	1185	1.72
20	A	1204	1143	59.75
21	A	1180	1120	70.66
22	A	1162	1103	60.85
23	A	1138	1080	51.94
24	A	1084	1029	19.59
25	A	1060	1006	49.51
26	A	970	921	12.24
27	A	912	866	2.48
28	A	898	853	50.56
29	A	856	813	11.04
30	A	709	673	1.58
31	A	674	640	3.03
32	A	507	481	5.62
33	A	337	320	5.47
34	A	243	231	0.52
35	A	222	211	3.04
36	A	54	52	5.38

Atom	x (Å)	y (Å)	z (Å)
C1	-2.067	0.013	-0.228
H2	-2.622	-0.905	-0.018
H3	-2.625	0.864	0.168
H4	-1.955	0.129	-1.308
C5	-0.700	-0.047	0.411
H6	-0.786	-0.166	1.506
O7	0.038	1.138	0.140
O8	0.039	-1.120	-0.127
C9	1.397	-0.750	0.036
H10	1.998	-1.306	-0.686
H11	1.754	-0.979	1.051
C12	1.367	0.768	-0.212
H13	1.553	1.009	-1.265
H14	2.086	1.313	0.406

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0927	1.0922	1.0918	1.5108	2.1639	2.4152	2.3944	3.5576	4.2983	4.1503	3.5160	3.8958	4.3984
H2	1.0927		1.7784	1.7823	2.1482	2.4983	3.3576	2.6725	4.0230	4.6853	4.5057	4.3296	4.7594	5.2220
H3	1.0922	1.7784		1.7806	2.1439	2.4965	2.6776	3.3355	4.3365	5.1781	4.8328	4.0113	4.4203	4.7391
H4	1.0918	1.7823	1.7806		2.1359	3.0616	2.6620	2.6330	3.7170	4.2509	4.5331	3.5555	3.6173	4.5467
C5	1.5108	2.1482	2.1439	2.1359		1.1048	1.4221	1.4099	2.2436	3.1728	2.7019	2.3074	3.0006	3.1007
H6	2.1639	2.4983	2.4965	3.0616	1.1048		2.0605	2.0640	2.6965	3.7224	2.7061	2.9086	3.8124	3.4131
O7	2.4152	3.3576	2.6776	2.6620	1.4221	2.0605		2.2737	2.3286	3.2395	2.8734	1.4234	2.0706	2.0730
O8	2.3944	2.6725	3.3355	2.6330	1.4099	2.0640	2.2737		1.4170	2.0452	2.0850	2.3094	2.8498	3.2243
C9	3.5576	4.0230	4.3365	3.7170	2.2436	2.6965	2.3286	1.4170		1.0911	1.0999	1.5382	2.1934	2.2065
H10	4.2983	4.6853	5.1781	4.2509	3.1728	3.7224	3.2395	2.0452	1.0911		1.7837	2.2187	2.4272	2.8390
H11	4.1503	4.5057	4.8328	4.5331	2.7019	2.7061	2.8734	2.0850	1.0999	1.7837		2.1903	3.0588	2.4044
C12	3.5160	4.3296	4.0113	3.5555	2.3074	2.9086	1.4234	2.3094	1.5382	2.2187	2.1903		1.0961	1.0945
H13	3.8958	4.7594	4.4203	3.6173	3.0006	3.8124	2.0706	2.8498	2.1934	2.4272	3.0588	1.0961		1.7804
H14	4.3984	5.2220	4.7391	4.5467	3.1007	3.4131	2.0730	3.2243	2.2065	2.8390	2.4044	1.0945	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.688	C1	C5	O7	110.834
C1	C5	O8	110.083	H2	C1	H3	108.967
H2	C1	H4	109.349	H2	C1	C5	110.166
H3	C1	H4	109.234	H3	C1	C5	109.858
H4	C1	C5	109.248	C5	O7	C12	108.361
C5	O8	C9	105.060	H6	C5	O7	108.608
H6	C5	O8	109.729	O7	C5	O8	106.808
O7	C12	C9	103.604	O7	C12	H13	109.849
O7	C12	H14	110.141	O8	C9	H10	108.562
O8	C9	H11	111.250	O8	C9	C12	102.718
C9	C12	H13	111.635	C9	C12	H14	112.791
H10	C9	H11	109.001	H10	C9	C12	114.011
H11	C9	C12	111.166	H13	C12	H14	108.727

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

using model chemistry: B2PLYP/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
1	C	-0.476
2	H	0.163
3	H	0.166
4	H	0.170
5	C	0.422
6	H	0.127
7	O	-0.573
8	O	-0.548
9	C	-0.065
10	H	0.172
11	H	0.149
12	C	-0.016
13	H	0.155
14	H	0.153

	x	y	z
x	8.266	0.042	-0.205
y	0.042	6.216	-0.108
z	-0.205	-0.108	6.307

<r²>	149.504
(<r²>)^1/2	12.227

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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