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	hartrees
Energy at 0K	-307.606006
Energy at 298.15K	-307.616457
Nuclear repulsion energy	264.334934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3030	21.72
2	A	3158	3027	18.10
3	A	3143	3013	35.51
4	A	3095	2967	47.88
5	A	3073	2946	9.94
6	A	3053	2926	73.92
7	A	3014	2890	61.81
8	A	2948	2826	104.60
9	A	1542	1478	0.50
10	A	1522	1459	5.04
11	A	1499	1437	2.25
12	A	1498	1436	7.93
13	A	1455	1394	79.98
14	A	1402	1344	9.73
15	A	1396	1339	3.65
16	A	1387	1329	1.11
17	A	1348	1293	0.37
18	A	1267	1215	21.76
19	A	1240	1189	1.54
20	A	1191	1141	95.11
21	A	1170	1121	37.37
22	A	1146	1098	73.72
23	A	1123	1076	46.29
24	A	1092	1047	26.23
25	A	1068	1024	53.08
26	A	963	923	8.72
27	A	893	856	52.38
28	A	884	848	2.99
29	A	862	827	8.91
30	A	705	676	1.91
31	A	685	657	3.16
32	A	509	488	4.35
33	A	326	312	5.65
34	A	229	219	0.37
35	A	204	195	4.94
36	A	61	58	3.62

Atom	x (Å)	y (Å)	z (Å)
C1	-2.077	0.013	-0.166
H2	-2.622	-0.893	0.098
H3	-2.607	0.874	0.240
H4	-2.032	0.102	-1.251
C5	-0.683	-0.040	0.384
H6	-0.681	-0.146	1.482
O7	0.030	1.133	0.041
O8	0.033	-1.105	-0.181
C9	1.381	-0.758	0.051
H10	2.006	-1.304	-0.654
H11	1.673	-1.026	1.074
C12	1.386	0.760	-0.148
H13	1.688	1.045	-1.158
H14	2.028	1.274	0.572

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0899	1.0895	1.0895	1.4997	2.1659	2.3948	2.3879	3.5494	4.3169	4.0843	3.5423	4.0280	4.3574
H2	1.0899		1.7728	1.7772	2.1384	2.4985	3.3378	2.6787	4.0061	4.7065	4.4072	4.3426	4.8904	5.1524
H3	1.0895	1.7728		1.7745	2.1348	2.5083	2.6565	3.3259	4.3126	5.1779	4.7563	4.0125	4.5198	4.6638
H4	1.0895	1.7772	1.7745		2.1247	3.0594	2.6426	2.6208	3.7530	4.3169	4.5179	3.6513	3.8392	4.6028
C5	1.4997	2.1384	2.1348	2.1247		1.1040	1.4142	1.4019	2.2101	3.1463	2.6457	2.2804	3.0291	3.0181
H6	2.1659	2.4985	2.5083	3.0594	1.1040		2.0543	2.0485	2.5839	3.6224	2.5464	2.7844	3.7427	3.1915
O7	2.3948	3.3378	2.6565	2.6426	1.4142	2.0543		2.2484	2.3236	3.2126	2.9033	1.4186	2.0483	2.0727
O8	2.3879	2.6787	3.3259	2.6208	1.4019	2.0485	2.2484		1.4109	2.0377	2.0667	2.3040	2.8838	3.1943
C9	3.5494	4.0061	4.3126	3.7530	2.2101	2.5839	2.3236	1.4109		1.0884	1.0976	1.5309	2.1924	2.1946
H10	4.3169	4.7065	5.1779	4.3169	3.1463	3.6224	3.2126	2.0377	1.0884		1.7816	2.2136	2.4232	2.8541
H11	4.0843	4.4072	4.7563	4.5179	2.6457	2.5464	2.9033	2.0667	1.0976	1.7816		2.1835	3.0455	2.3803
C12	3.5423	4.3426	4.0125	3.6513	2.2804	2.7844	1.4186	2.3040	1.5309	2.2136	2.1835		1.0925	1.0933
H13	4.0280	4.8904	4.5198	3.8392	3.0291	3.7427	2.0483	2.8838	2.1924	2.4232	3.0455	1.0925		1.7786
H14	4.3574	5.1524	4.6638	4.6028	3.0181	3.1915	2.0727	3.1943	2.1946	2.8541	2.3803	1.0933	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.678	C1	C5	O7	110.509
C1	C5	O8	110.719	H2	C1	H3	108.858
H2	C1	H4	109.260	H2	C1	C5	110.326
H3	C1	H4	109.048	H3	C1	C5	110.062
H4	C1	C5	109.264	C5	O7	C12	107.223
C5	O8	C9	103.576	H6	C5	O7	108.709
H6	C5	O8	109.083	O7	C5	O8	105.958
O7	C12	C9	103.895	O7	C12	H13	108.617
O7	C12	H14	110.543	O8	C9	H10	108.551
O8	C9	H11	110.321	O8	C9	C12	103.029
C9	C12	H13	112.302	C9	C12	H14	112.429
H10	C9	H11	109.174	H10	C9	C12	114.301
H11	C9	C12	111.271	H13	C12	H14	108.920

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

using model chemistry: B1B95/6-311G*

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	-0.652
2	H	0.226
3	H	0.229
4	H	0.225
5	C	0.137
6	H	0.181
7	O	-0.343
8	O	-0.317
9	C	-0.326
10	H	0.227
11	H	0.212
12	C	-0.214
13	H	0.212
14	H	0.203

	x	y	z	Total
	1.146	-0.256	0.521	1.285
CHELPG
AIM
ESP

	x	y	z
x	8.794	0.030	-0.090
y	0.030	6.634	-0.131
z	-0.090	-0.131	6.703

<r²>	148.509
(<r²>)^1/2	12.186

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

using model chemistry: B1B95/6-311G*

States and conformations

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