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	hartrees
Energy at 0K	-307.421789
Energy at 298.15K	-307.431989
HF Energy	-307.421789
Nuclear repulsion energy	261.665870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3075	3037	13.64
2	A	3072	3035	10.29
3	A	3044	3007	27.17
4	A	2996	2959	34.55
5	A	2990	2954	8.23
6	A	2954	2918	75.18
7	A	2920	2885	51.87
8	A	2831	2797	98.04
9	A	1475	1457	0.58
10	A	1458	1440	3.49
11	A	1434	1416	2.60
12	A	1433	1416	6.29
13	A	1384	1367	68.23
14	A	1342	1326	0.79
15	A	1331	1315	7.04
16	A	1318	1302	0.01
17	A	1285	1270	0.82
18	A	1206	1191	12.33
19	A	1184	1169	1.10
20	A	1138	1124	49.99
21	A	1118	1105	24.96
22	A	1088	1075	78.25
23	A	1067	1054	42.65
24	A	1026	1014	39.36
25	A	1007	995	58.43
26	A	926	915	9.20
27	A	842	832	11.87
28	A	832	822	33.43
29	A	820	810	20.30
30	A	682	674	0.60
31	A	670	662	2.51
32	A	497	491	3.10
33	A	319	315	6.06
34	A	206	204	0.48
35	A	190	187	5.00
36	A	39	39	2.99

Atom	x (Å)	y (Å)	z (Å)
C1	-2.086	0.014	-0.210
H2	-2.643	-0.905	0.013
H3	-2.637	0.869	0.202
H4	-2.000	0.133	-1.297
C5	-0.705	-0.051	0.400
H6	-0.754	-0.176	1.504
O7	0.040	1.146	0.125
O8	0.041	-1.121	-0.156
C9	1.404	-0.748	0.055
H10	2.034	-1.317	-0.638
H11	1.711	-0.967	1.095
C12	1.382	0.761	-0.209
H13	1.574	0.991	-1.270
H14	2.099	1.316	0.415

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0976	1.0969	1.0971	1.5122	2.1796	2.4321	2.4125	3.5823	4.3515	4.1337	3.5476	3.9338	4.4274
H2	1.0976		1.7837	1.7909	2.1537	2.5146	3.3791	2.6985	4.0502	4.7404	4.4871	4.3617	4.7983	5.2517
H3	1.0969	1.7837		1.7878	2.1491	2.5165	2.6926	3.3559	4.3546	5.2253	4.8034	4.0409	4.4624	4.7616
H4	1.0971	1.7909	1.7878		2.1436	3.0817	2.6859	2.6540	3.7673	4.3374	4.5504	3.6077	3.6758	4.5972
C5	1.5122	2.1537	2.1491	2.1436		1.1119	1.4357	1.4186	2.2472	3.1911	2.6754	2.3201	3.0109	3.1188
H6	2.1796	2.5146	2.5165	3.0817	1.1119		2.0687	2.0690	2.6610	3.6965	2.6209	2.8940	3.8048	3.3989
O7	2.4321	3.3791	2.6926	2.6859	1.4357	2.0687		2.2845	2.3344	3.2594	2.8628	1.4348	2.0790	2.0858
O8	2.4125	2.6985	3.3559	2.6540	1.4186	2.0690	2.2845		1.4284	2.0597	2.0919	2.3119	2.8377	3.2405
C9	3.5823	4.0502	4.3546	3.7673	2.2472	2.6610	2.3344	1.4284		1.0966	1.1058	1.5326	2.1931	2.2074
H10	4.3515	4.7404	5.2253	4.3374	3.1911	3.6965	3.2594	2.0597	1.0966		1.7972	2.2205	2.4370	2.8368
H11	4.1337	4.4871	4.8034	4.5504	2.6754	2.6209	2.8628	2.0919	1.1058	1.7972		2.1904	3.0734	2.4139
C12	3.5476	4.3617	4.0409	3.6077	2.3201	2.8940	1.4348	2.3119	1.5326	2.2205	2.1904		1.1021	1.1007
H13	3.9338	4.7983	4.4624	3.6758	3.0109	3.8048	2.0790	2.8377	2.1931	2.4370	3.0734	1.1021		1.7942
H14	4.4274	5.2517	4.7616	4.5972	3.1188	3.3989	2.0858	3.2405	2.2074	2.8368	2.4139	1.1007	1.7942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.408	C1	C5	O7	111.161
C1	C5	O8	110.764	H2	C1	H3	108.741
H2	C1	H4	109.376	H2	C1	C5	110.215
H3	C1	H4	109.149	H3	C1	C5	109.892
H4	C1	C5	109.447	C5	O7	C12	107.852
C5	O8	C9	104.244	H6	C5	O7	107.908
H6	C5	O8	109.093	O7	C5	O8	106.328
O7	C12	C9	103.706	O7	C12	H13	109.374
O7	C12	H14	110.002	O8	C9	H10	108.606
O8	C9	H11	110.623	O8	C9	C12	102.604
C9	C12	H13	111.643	C9	C12	H14	112.894
H10	C9	H11	109.375	H10	C9	C12	114.225
H11	C9	C12	111.203	H13	C12	H14	109.082

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

using model chemistry: PBEPBE/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	-0.219
2	H	0.084
3	H	0.087
4	H	0.078
5	C	0.177
6	H	0.043
7	O	-0.261
8	O	-0.250
9	C	-0.035
10	H	0.087
11	H	0.068
12	C	0.012
13	H	0.070
14	H	0.060

	x	y	z	Total
	0.937	-0.208	0.509	1.087
CHELPG
AIM
ESP

	x	y	z
x	10.211	0.035	-0.073
y	0.035	7.858	-0.120
z	-0.073	-0.120	7.678

<r²>	151.730
(<r²>)^1/2	12.318

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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