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	hartrees
Energy at 0K	-59.368547
Energy at 298.15K	-59.378824
Nuclear repulsion energy	145.424235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3123	3027	31.19
2	A	3116	3021	25.19
3	A	3102	3007	60.39
4	A	3071	2977	33.37
5	A	3038	2945	13.93
6	A	3017	2925	111.52
7	A	2992	2900	59.68
8	A	2919	2830	116.00
9	A	1540	1492	0.46
10	A	1523	1477	1.05
11	A	1496	1450	1.42
12	A	1494	1449	5.73
13	A	1445	1400	74.52
14	A	1396	1354	4.72
15	A	1390	1347	16.73
16	A	1373	1331	0.64
17	A	1335	1295	0.54
18	A	1239	1201	11.98
19	A	1223	1186	2.65
20	A	1165	1130	34.66
21	A	1155	1119	48.52
22	A	1125	1091	107.53
23	A	1106	1072	39.02
24	A	1056	1024	21.67
25	A	1038	1006	76.13
26	A	936	907	9.79
27	A	870	844	65.87
28	A	853	827	6.51
29	A	836	810	2.79
30	A	709	688	1.24
31	A	685	664	3.04
32	A	503	487	3.62
33	A	321	311	5.73
34	A	213	207	0.07
35	A	180	175	7.50
36	A	34	33	3.02

Atom	x (Å)	y (Å)	z (Å)
C1	-2.114	0.007	-0.149
H2	-2.650	-0.897	0.164
H3	-2.640	0.884	0.243
H4	-2.097	0.057	-1.243
C5	-0.688	-0.022	0.383
H6	-0.667	-0.084	1.491
O7	0.028	1.146	-0.034
O8	0.031	-1.127	-0.160
C9	1.413	-0.779	0.007
H10	1.988	-1.274	-0.783
H11	1.780	-1.121	0.988
C12	1.420	0.779	-0.090
H13	1.830	1.147	-1.039
H14	1.975	1.238	0.742

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0960	1.0958	1.0953	1.5227	2.1889	2.4290	2.4267	3.6174	4.3439	4.2110	3.6183	4.2009	4.3625
H2	1.0960		1.7828	1.7876	2.1589	2.5199	3.3735	2.7099	4.0675	4.7482	4.5114	4.4086	5.0686	5.1261
H3	1.0958	1.7828		1.7861	2.1572	2.5270	2.6956	3.3684	4.3881	5.2089	4.9110	4.0756	4.6579	4.6558
H4	1.0953	1.7876	1.7861		2.1534	3.0885	2.6768	2.6655	3.8189	4.3209	4.6261	3.7712	4.0807	4.6816
C5	1.5227	2.1589	2.1572	2.1534		1.1097	1.4318	1.4260	2.2649	3.1760	2.7687	2.3044	3.1191	2.9678
H6	2.1889	2.5199	2.5270	3.0885	1.1097		2.0783	2.0742	2.6486	3.6930	2.7054	2.7573	3.7618	3.0481
O7	2.4290	3.3735	2.6956	2.6768	1.4318	2.0783		2.2766	2.3718	3.2027	3.0417	1.4405	2.0631	2.0977
O8	2.4267	2.7099	3.3684	2.6655	1.4260	2.0742	2.2766		1.4352	2.0589	2.0925	2.3602	3.0305	3.1918
C9	3.6174	4.0675	4.3881	3.8189	2.2649	2.6486	2.3718	1.4352		1.0949	1.1022	1.5616	2.2314	2.2191
H10	4.3439	4.7482	5.2089	4.3209	3.1760	3.6930	3.2027	2.0589	1.0949		1.7900	2.2402	2.4401	2.9384
H11	4.2110	4.5114	4.9110	4.6261	2.7687	2.7054	3.0417	2.0925	1.1022	1.7900		2.2145	3.0425	2.3796
C12	3.6183	4.4086	4.0756	3.7712	2.3044	2.7573	1.4405	2.3602	1.5616	2.2402	2.2145		1.0968	1.1002
H13	4.2009	5.0686	4.6579	4.0807	3.1191	3.7618	2.0631	3.0305	2.2314	2.4401	3.0425	1.0968		1.7886
H14	4.3625	5.1261	4.6558	4.6816	2.9678	3.0481	2.0977	3.1918	2.2191	2.9384	2.3796	1.1002	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.550	C1	C5	O7	110.560
C1	C5	O8	110.723	H2	C1	H3	108.853
H2	C1	H4	109.320	H2	C1	C5	109.990
H3	C1	H4	109.199	H3	C1	C5	109.864
H4	C1	C5	109.595	C5	O7	C12	106.696
C5	O8	C9	104.667	H6	C5	O7	109.066
H6	C5	O8	109.134	O7	C5	O8	105.620
O7	C12	C9	104.306	O7	C12	H13	108.036
O7	C12	H14	110.593	O8	C9	H10	108.180
O8	C9	H11	110.424	O8	C9	C12	103.838
C9	C12	H13	112.981	C9	C12	H14	111.788
H10	C9	H11	109.119	H10	C9	C12	113.819
H11	C9	C12	111.304	H13	C12	H14	109.001

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

using model chemistry: B3LYP/CEP-121G*

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	-0.530
2	H	0.170
3	H	0.172
4	H	0.168
5	C	0.176
6	H	0.106
7	O	-0.279
8	O	-0.280
9	C	-0.164
10	H	0.178
11	H	0.144
12	C	-0.165
13	H	0.161
14	H	0.145

	x	y	z	Total
	1.199	-0.148	0.634	1.365
CHELPG
AIM
ESP

	x	y	z
x	9.395	0.023	-0.108
y	0.023	7.104	-0.076
z	-0.108	-0.076	7.148

<r²>	127.246
(<r²>)^1/2	11.280

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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