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	hartrees
Energy at 0K	-305.964005
Energy at 298.15K	-305.974784
HF Energy	-305.964005
Nuclear repulsion energy	265.779886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3259	2954	52.36
2	A	3254	2950	35.27
3	A	3246	2942	26.23
4	A	3221	2920	55.52
5	A	3187	2888	64.50
6	A	3179	2881	20.67
7	A	3153	2858	64.18
8	A	3109	2818	91.87
9	A	1666	1510	0.51
10	A	1648	1494	3.48
11	A	1605	1455	20.86
12	A	1604	1454	5.59
13	A	1581	1433	72.30
14	A	1530	1387	17.29
15	A	1522	1380	1.58
16	A	1517	1375	1.95
17	A	1471	1334	0.63
18	A	1370	1241	29.59
19	A	1343	1217	3.91
20	A	1297	1175	227.00
21	A	1276	1156	48.98
22	A	1240	1124	46.30
23	A	1224	1109	41.31
24	A	1189	1078	7.12
25	A	1153	1045	45.76
26	A	1025	929	13.38
27	A	984	892	50.44
28	A	955	866	4.59
29	A	922	835	4.48
30	A	767	695	2.41
31	A	746	676	4.58
32	A	540	490	5.85
33	A	359	325	5.54
34	A	249	226	0.07
35	A	203	184	4.56
36	A	66	60	5.40

Atom	x (Å)	y (Å)	z (Å)
C1	-2.068	0.012	-0.216
H2	-2.613	-0.898	-0.004
H3	-2.616	0.851	0.190
H4	-1.980	0.132	-1.287
C5	-0.697	-0.053	0.400
H6	-0.745	-0.179	1.478
O7	0.039	1.112	0.135
O8	0.051	-1.094	-0.140
C9	1.395	-0.737	0.040
H10	2.008	-1.287	-0.655
H11	1.704	-0.966	1.054
C12	1.359	0.760	-0.207
H13	1.527	0.999	-1.249
H14	2.060	1.312	0.403

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0819	1.0817	1.0809	1.5046	2.1579	2.4030	2.3907	3.5517	4.3004	4.0978	3.5076	3.8681	4.3714
H2	1.0819		1.7598	1.7629	2.1334	2.4910	3.3314	2.6748	4.0117	4.6836	4.4453	4.3095	4.7213	5.1853
H3	1.0817	1.7598		1.7612	2.1324	2.4948	2.6690	3.3173	4.3166	5.1646	4.7656	3.9964	4.3883	4.7036
H4	1.0809	1.7629	1.7612		2.1276	3.0440	2.6572	2.6344	3.7286	4.2800	4.5003	3.5649	3.6126	4.5348
C5	1.5046	2.1334	2.1324	2.1276		1.0863	1.4037	1.3905	2.2296	3.1548	2.6499	2.2927	2.9614	3.0759
H6	2.1579	2.4910	2.4948	3.0440	1.0863		2.0212	2.0220	2.6377	3.6549	2.6064	2.8547	3.7395	3.3533
O7	2.4030	3.3314	2.6690	2.6572	1.4037	2.0212		2.2235	2.2949	3.2030	2.8166	1.4086	2.0351	2.0478
O8	2.3907	2.6748	3.3173	2.6344	1.3905	2.0220	2.2235		1.4023	2.0335	2.0433	2.2699	2.7907	3.1810
C9	3.5517	4.0117	4.3166	3.7286	2.2296	2.6377	2.2949	1.4023		1.0780	1.0847	1.5173	2.1658	2.1843
H10	4.3004	4.6836	5.1646	4.2800	3.1548	3.6549	3.2030	2.0335	1.0780		1.7657	2.1933	2.4103	2.8064
H11	4.0978	4.4453	4.7656	4.5003	2.6499	2.6064	2.8166	2.0433	1.0847	1.7657		2.1651	3.0323	2.3957
C12	3.5076	4.3095	3.9964	3.5649	2.2927	2.8547	1.4086	2.2699	1.5173	2.1933	2.1651		1.0814	1.0807
H13	3.8681	4.7213	4.3883	3.6126	2.9614	3.7395	2.0351	2.7907	2.1658	2.4103	3.0323	1.0814		1.7632
H14	4.3714	5.1853	4.7036	4.5348	3.0759	3.3533	2.0478	3.1810	2.1843	2.8064	2.3957	1.0807	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.778	C1	C5	O7	111.386
C1	C5	O8	111.277	H2	C1	H3	108.850
H2	C1	H4	109.190	H2	C1	C5	110.063
H3	C1	H4	109.048	H3	C1	C5	110.005
H4	C1	C5	109.661	C5	O7	C12	109.223
C5	O8	C9	105.945	H6	C5	O7	107.854
H6	C5	O8	108.829	O7	C5	O8	105.452
O7	C12	C9	103.255	O7	C12	H13	108.923
O7	C12	H14	109.998	O8	C9	H10	109.444
O8	C9	H11	109.826	O8	C9	C12	101.988
C9	C12	H13	111.811	C9	C12	H14	113.375
H10	C9	H11	109.456	H10	C9	C12	114.303
H11	C9	C12	111.553	H13	C12	H14	109.270

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

using model chemistry: HF/Def2TZVPP

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	-0.162
2	H	0.059
3	H	0.058
4	H	0.052
5	C	0.405
6	H	0.016
7	O	-0.427
8	O	-0.415
9	C	0.099
10	H	0.056
11	H	0.039
12	C	0.150
13	H	0.036
14	H	0.033

	x	y	z	Total
	1.171	-0.187	0.417	1.257
CHELPG
AIM
ESP

	x	y	z
x	8.614	0.016	-0.126
y	0.016	6.883	-0.102
z	-0.126	-0.102	6.765

<r²>	147.840
(<r²>)^1/2	12.159

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

using model chemistry: HF/Def2TZVPP

States and conformations

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