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	hartrees
Energy at 0K	-305.659848
Energy at 298.15K	-305.670276
HF Energy	-305.659848
Nuclear repulsion energy	260.628063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3062	21.48
2	A	3175	3058	10.33
3	A	3173	3056	26.25
4	A	3165	3049	14.54
5	A	3092	2979	6.50
6	A	3088	2975	54.63
7	A	3073	2960	53.14
8	A	3064	2952	27.48
9	A	1563	1506	0.16
10	A	1558	1501	5.67
11	A	1551	1494	2.64
12	A	1545	1489	5.59
13	A	1458	1404	25.20
14	A	1422	1370	32.35
15	A	1389	1338	0.53
16	A	1383	1333	17.70
17	A	1312	1263	9.24
18	A	1254	1208	10.79
19	A	1219	1175	0.68
20	A	1166	1123	31.34
21	A	1157	1114	84.40
22	A	1131	1090	53.55
23	A	1113	1072	49.22
24	A	1045	1006	16.65
25	A	1014	977	30.44
26	A	948	913	10.59
27	A	921	887	1.46
28	A	855	824	35.30
29	A	834	803	5.51
30	A	703	677	2.91
31	A	628	605	5.01
32	A	458	441	16.90
33	A	352	339	2.18
34	A	248	238	1.17
35	A	231	223	0.38
36	A	52	50	12.21

Atom	x (Å)	y (Å)	z (Å)
C1	-2.076	0.011	-0.244
H2	-2.633	-0.908	-0.043
H3	-2.639	0.868	0.132
H4	-1.924	0.118	-1.321
C5	-0.727	-0.046	0.429
H6	-0.837	-0.156	1.522
O7	0.030	1.152	0.143
O8	0.034	-1.134	-0.115
C9	1.421	-0.756	0.031
H10	2.019	-1.303	-0.699
H11	1.799	-0.967	1.044
C12	1.385	0.774	-0.215
H13	1.577	1.002	-1.270
H14	2.114	1.307	0.402

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0931	1.0928	1.0927	1.5080	2.1635	2.4260	2.4037	3.5906	4.3248	4.1983	3.5438	3.9215	4.4336
H2	1.0931		1.7850	1.7856	2.1438	2.4980	3.3716	2.6770	4.0575	4.7149	4.5632	4.3589	4.7829	5.2576
H3	1.0928	1.7850		1.7845	2.1404	2.4960	2.6843	3.3492	4.3746	5.2067	4.8885	4.0401	4.4454	4.7818
H4	1.0927	1.7856	1.7845		2.1256	3.0555	2.6509	2.6179	3.7121	4.2371	4.5412	3.5494	3.6108	4.5485
C5	1.5080	2.1438	2.1404	2.1256		1.1045	1.4460	1.4346	2.2972	3.2241	2.7579	2.3554	3.0486	3.1478
H6	2.1635	2.4980	2.4960	3.0555	1.1045		2.0889	2.0966	2.7718	3.7961	2.7992	2.9696	3.8684	3.4794
O7	2.4260	3.3716	2.6843	2.6509	1.4460	2.0889		2.3010	2.3641	3.2703	2.9035	1.4514	2.1009	2.1065
O8	2.4037	2.6770	3.3492	2.6179	1.4346	2.0966	2.3010		1.4457	2.0769	2.1179	2.3407	2.8776	3.2495
C9	3.5906	4.0575	4.3746	3.7121	2.2972	2.7718	2.3641	1.4457		1.0911	1.1007	1.5504	2.1927	2.2080
H10	4.3248	4.7149	5.2067	4.2371	3.2241	3.7961	3.2703	2.0769	1.0911		1.7883	2.2254	2.4152	2.8346
H11	4.1983	4.5632	4.8885	4.5412	2.7579	2.7992	2.9035	2.1179	1.1007	1.7883		2.1879	3.0459	2.3838
C12	3.5438	4.3589	4.0401	3.5494	2.3554	2.9696	1.4514	2.3407	1.5504	2.2254	2.1879		1.0965	1.0943
H13	3.9215	4.7829	4.4454	3.6108	3.0486	3.8684	2.1009	2.8776	2.1927	2.4152	3.0459	1.0965		1.7831
H14	4.4336	5.2576	4.7818	4.5485	3.1478	3.4794	2.1065	3.2495	2.2080	2.8346	2.3838	1.0943	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.872	C1	C5	O7	110.407
C1	C5	O8	109.520	H2	C1	H3	109.490
H2	C1	H4	109.548	H2	C1	C5	109.986
H3	C1	H4	109.483	H3	C1	C5	109.738
H4	C1	C5	108.579	C5	O7	C12	108.769
C5	O8	C9	105.795	H6	C5	O7	109.247
H6	C5	O8	110.654	O7	C5	O8	106.031
O7	C12	C9	103.868	O7	C12	H13	110.313
O7	C12	H14	110.900	O8	C9	H10	109.112
O8	C9	H11	111.838	O8	C9	C12	102.695
C9	C12	H13	110.695	C9	C12	H14	112.046
H10	C9	H11	109.354	H10	C9	C12	113.663
H11	C9	C12	110.077	H13	C12	H14	108.956

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

using model chemistry: HSEh1PBE/3-21G

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	-0.628
2	H	0.226
3	H	0.222
4	H	0.227
5	C	0.225
6	H	0.228
7	O	-0.488
8	O	-0.493
9	C	-0.209
10	H	0.233
11	H	0.222
12	C	-0.221
13	H	0.220
14	H	0.235

	x	y	z	Total
	1.052	0.116	-0.646	1.240
CHELPG
AIM
ESP

	x	y	z
x	7.909	0.071	-0.343
y	0.071	5.812	-0.074
z	-0.343	-0.074	5.907

<r²>	147.498
(<r²>)^1/2	12.145

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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