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	hartrees
Energy at 0K	-307.293753
Energy at 298.15K	-307.304008
Nuclear repulsion energy	261.364931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3098	3047	15.06
2	A	3093	3042	12.78
3	A	3063	3012	28.97
4	A	3008	2958	9.40
5	A	3003	2954	51.10
6	A	2966	2917	68.11
7	A	2927	2879	58.82
8	A	2851	2804	106.63
9	A	1509	1484	0.70
10	A	1487	1463	2.55
11	A	1468	1444	1.70
12	A	1467	1443	4.66
13	A	1408	1385	74.11
14	A	1367	1344	2.80
15	A	1359	1337	13.45
16	A	1343	1321	5.18
17	A	1299	1278	1.05
18	A	1220	1200	16.21
19	A	1193	1173	0.39
20	A	1152	1133	49.10
21	A	1130	1111	44.19
22	A	1109	1090	78.96
23	A	1085	1067	51.98
24	A	1043	1026	32.50
25	A	1022	1005	47.28
26	A	933	917	8.12
27	A	865	851	4.36
28	A	852	838	41.12
29	A	827	813	16.06
30	A	683	672	0.93
31	A	662	651	2.24
32	A	494	486	3.65
33	A	321	316	5.46
34	A	224	220	0.48
35	A	204	201	4.13
36	A	44	43	3.16

Atom	x (Å)	y (Å)	z (Å)
C1	-2.091	0.013	-0.183
H2	-2.646	-0.903	0.075
H3	-2.631	0.882	0.226
H4	-2.033	0.108	-1.278
C5	-0.692	-0.043	0.394
H6	-0.714	-0.156	1.505
O7	0.031	1.151	0.067
O8	0.034	-1.123	-0.174
C9	1.396	-0.762	0.052
H10	2.025	-1.321	-0.657
H11	1.705	-1.014	1.089
C12	1.393	0.767	-0.168
H13	1.669	1.040	-1.204
H14	2.072	1.293	0.530

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.1018	1.1014	1.1013	1.5140	2.1854	2.4212	2.4098	3.5797	4.3532	4.1330	3.5646	4.0295	4.4127
H2	1.1018		1.7912	1.7976	2.1584	2.5178	3.3749	2.7007	4.0448	4.7474	4.4693	4.3776	4.9026	5.2236
H3	1.1014	1.7912		1.7945	2.1541	2.5273	2.6803	3.3585	4.3523	5.2260	4.8098	4.0444	4.5342	4.7297
H4	1.1013	1.7976	1.7945		2.1485	3.0919	2.6753	2.6473	3.7791	4.3471	4.5644	3.6607	3.8180	4.6386
C5	1.5140	2.1584	2.1541	2.1485		1.1175	1.4344	1.4199	2.2346	3.1818	2.6781	2.3067	3.0503	3.0729
H6	2.1854	2.5178	2.5273	3.0919	1.1175		2.0817	2.0771	2.6323	3.6794	2.5998	2.8445	3.8013	3.2876
O7	2.4212	3.3749	2.6803	2.6753	1.4344	2.0817		2.2872	2.3495	3.2574	2.9210	1.4341	2.0759	2.0968
O8	2.4098	2.7007	3.3585	2.6473	1.4199	2.0771	2.2872		1.4272	2.0590	2.0975	2.3281	2.9012	3.2380
C9	3.5797	4.0448	4.3523	3.7791	2.2346	2.6323	2.3495	1.4272		1.1011	1.1110	1.5442	2.2133	2.2146
H10	4.3532	4.7474	5.2260	4.3471	3.1818	3.6794	3.2574	2.0590	1.1011		1.8019	2.2355	2.4494	2.8707
H11	4.1330	4.4693	4.8098	4.5644	2.6781	2.5998	2.9210	2.0975	1.1110	1.8019		2.2020	3.0786	2.4013
C12	3.5646	4.3776	4.0444	3.6607	2.3067	2.8445	1.4341	2.3281	1.5442	2.2355	2.2020		1.1062	1.1064
H13	4.0295	4.9026	4.5342	3.8180	3.0503	3.8013	2.0759	2.9012	2.2133	2.4494	3.0786	1.1062		1.7976
H14	4.4127	5.2236	4.7297	4.6386	3.0729	3.2876	2.0968	3.2380	2.2146	2.8707	2.4013	1.1064	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.412	C1	C5	O7	110.382
C1	C5	O8	110.401	H2	C1	H3	108.780
H2	C1	H4	109.355	H2	C1	C5	110.211
H3	C1	H4	109.109	H3	C1	C5	109.901
H4	C1	C5	109.463	C5	O7	C12	107.058
C5	O8	C9	103.414	H6	C5	O7	108.688
H6	C5	O8	109.310	O7	C5	O8	106.509
O7	C12	C9	104.100	O7	C12	H13	108.929
O7	C12	H14	110.583	O8	C9	H10	108.362
O8	C9	H11	110.836	O8	C9	C12	103.092
C9	C12	H13	112.191	C9	C12	H14	112.281
H10	C9	H11	109.087	H10	C9	C12	114.313
H11	C9	C12	110.999	H13	C12	H14	108.665

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

using model chemistry: PBEPBEultrafine/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	-0.503
2	H	0.170
3	H	0.174
4	H	0.177
5	C	0.310
6	H	0.119
7	O	-0.449
8	O	-0.426
9	C	-0.118
10	H	0.170
11	H	0.148
12	C	-0.077
13	H	0.156
14	H	0.149

	x	y	z	Total
	0.968	-0.252	0.376	1.069
CHELPG
AIM
ESP

	x	y	z
x	8.836	0.047	-0.166
y	0.047	6.504	-0.117
z	-0.166	-0.117	6.574

<r²>	151.180
(<r²>)^1/2	12.296

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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