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	hartrees
Energy at 0K	-307.625422
Energy at 298.15K	-307.635870
Nuclear repulsion energy	263.491938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3147	3030	22.57
2	A	3143	3026	17.88
3	A	3129	3013	36.73
4	A	3082	2967	48.40
5	A	3061	2947	10.00
6	A	3042	2928	75.34
7	A	3004	2892	63.67
8	A	2940	2830	104.80
9	A	1543	1485	0.48
10	A	1524	1467	4.56
11	A	1499	1443	2.55
12	A	1498	1442	8.05
13	A	1453	1399	78.32
14	A	1403	1350	6.53
15	A	1399	1347	6.15
16	A	1386	1334	0.96
17	A	1348	1298	0.48
18	A	1264	1217	19.61
19	A	1239	1192	1.23
20	A	1187	1143	78.90
21	A	1168	1125	44.73
22	A	1144	1102	78.78
23	A	1122	1080	49.57
24	A	1085	1044	23.79
25	A	1062	1022	56.80
26	A	960	924	9.23
27	A	888	855	52.79
28	A	883	850	3.72
29	A	858	826	9.72
30	A	709	683	1.51
31	A	693	667	3.00
32	A	511	491	4.20
33	A	331	318	5.98
34	A	229	220	0.27
35	A	201	193	5.25
36	A	58	56	3.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.082	0.012	-0.174
H2	-2.630	-0.895	0.092
H3	-2.616	0.876	0.227
H4	-2.035	0.096	-1.261
C5	-0.688	-0.038	0.387
H6	-0.698	-0.139	1.488
O7	0.030	1.136	0.045
O8	0.034	-1.111	-0.167
C9	1.388	-0.760	0.043
H10	2.000	-1.302	-0.679
H11	1.703	-1.036	1.059
C12	1.389	0.764	-0.149
H13	1.690	1.056	-1.160
H14	2.033	1.275	0.574

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0922	1.0918	1.0917	1.5037	2.1681	2.4032	2.3951	3.5614	4.3179	4.1162	3.5516	4.0365	4.3698
H2	1.0922		1.7755	1.7801	2.1433	2.5009	3.3477	2.6854	4.0208	4.7118	4.4419	4.3546	4.9031	5.1664
H3	1.0918	1.7755		1.7777	2.1398	2.5097	2.6653	3.3349	4.3290	5.1836	4.7956	4.0239	4.5274	4.6795
H4	1.0917	1.7801	1.7777		2.1324	3.0659	2.6554	2.6325	3.7610	4.3092	4.5424	3.6609	3.8477	4.6161
C5	1.5037	2.1433	2.1398	2.1324		1.1058	1.4186	1.4062	2.2243	3.1555	2.6763	2.2896	3.0403	3.0274
H6	2.1681	2.5009	2.5097	3.0659	1.1058		2.0587	2.0541	2.6124	3.6506	2.5982	2.8011	3.7601	3.2081
O7	2.4032	3.3477	2.6653	2.6554	1.4186	2.0587		2.2570	2.3322	3.2170	2.9233	1.4218	2.0523	2.0767
O8	2.3951	2.6854	3.3349	2.6325	1.4062	2.0541	2.2570		1.4145	2.0408	2.0727	2.3131	2.9023	3.2002
C9	3.5614	4.0208	4.3290	3.7610	2.2243	2.6124	2.3322	1.4145		1.0906	1.0996	1.5359	2.1989	2.2003
H10	4.3179	4.7118	5.1836	4.3092	3.1555	3.6506	3.2170	2.0408	1.0906		1.7838	2.2187	2.4264	2.8661
H11	4.1162	4.4419	4.7956	4.5424	2.6763	2.5982	2.9233	2.0727	1.0996	1.7838		2.1904	3.0499	2.3845
C12	3.5516	4.3546	4.0239	3.6609	2.2896	2.8011	1.4218	2.3131	1.5359	2.2187	2.1904		1.0946	1.0955
H13	4.0365	4.9031	4.5274	3.8477	3.0403	3.7601	2.0523	2.9023	2.1989	2.4264	3.0499	1.0946		1.7814
H14	4.3698	5.1664	4.6795	4.6161	3.0274	3.2081	2.0767	3.2002	2.2003	2.8661	2.3845	1.0955	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.467	C1	C5	O7	110.616
C1	C5	O8	110.744	H2	C1	H3	108.774
H2	C1	H4	109.201	H2	C1	C5	110.308
H3	C1	H4	109.011	H3	C1	C5	110.048
H4	C1	C5	109.473	C5	O7	C12	107.430
C5	O8	C9	104.103	H6	C5	O7	108.644
H6	C5	O8	109.130	O7	C5	O8	106.068
O7	C12	C9	104.028	O7	C12	H13	108.589
O7	C12	H14	110.496	O8	C9	H10	108.412
O8	C9	H11	110.432	O8	C9	C12	103.181
C9	C12	H13	112.342	C9	C12	H14	112.403
H10	C9	H11	109.066	H10	C9	C12	114.219
H11	C9	C12	111.354	H13	C12	H14	108.855

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

using model chemistry: B3PW91/6-311G*

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	-0.659
2	H	0.228
3	H	0.231
4	H	0.227
5	C	0.152
6	H	0.180
7	O	-0.353
8	O	-0.328
9	C	-0.317
10	H	0.228
11	H	0.211
12	C	-0.216
13	H	0.212
14	H	0.205

	x	y	z	Total
	1.151	-0.242	0.494	1.276
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	149.562
(<r²>)^1/2	12.230

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

using model chemistry: B3PW91/6-311G*

States and conformations

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