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	hartrees
Energy at 0K	-307.321052
Energy at 298.15K	-307.331515
HF Energy	-307.321052
Nuclear repulsion energy	263.931643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3030	15.09
2	A	3183	3025	12.31
3	A	3162	3005	28.45
4	A	3113	2958	46.49
5	A	3094	2940	7.22
6	A	3069	2916	59.87
7	A	3034	2883	54.95
8	A	2971	2823	97.51
9	A	1560	1483	0.33
10	A	1539	1463	3.47
11	A	1514	1439	1.79
12	A	1513	1438	6.65
13	A	1468	1395	83.53
14	A	1418	1347	9.25
15	A	1414	1343	7.03
16	A	1400	1330	4.74
17	A	1355	1287	0.83
18	A	1273	1209	25.53
19	A	1244	1182	0.99
20	A	1208	1148	136.83
21	A	1184	1125	35.82
22	A	1160	1103	61.01
23	A	1138	1081	44.78
24	A	1110	1055	16.83
25	A	1086	1032	36.83
26	A	974	926	7.85
27	A	909	864	34.45
28	A	902	857	11.60
29	A	869	826	6.78
30	A	714	678	1.46
31	A	686	651	3.00
32	A	510	484	4.69
33	A	334	317	5.59
34	A	235	224	0.37
35	A	212	201	4.05
36	A	49	47	4.23

Atom	x (Å)	y (Å)	z (Å)
C1	-2.072	0.013	-0.194
H2	-2.624	-0.900	0.046
H3	-2.614	0.871	0.211
H4	-1.998	0.116	-1.280
C5	-0.688	-0.045	0.396
H6	-0.726	-0.162	1.496
O7	0.034	1.134	0.090
O8	0.037	-1.110	-0.160
C9	1.386	-0.752	0.047
H10	2.008	-1.307	-0.659
H11	1.701	-0.997	1.074
C12	1.374	0.763	-0.181
H13	1.618	1.024	-1.218
H14	2.062	1.295	0.488

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0937	1.0933	1.0933	1.5051	2.1676	2.4020	2.3895	3.5498	4.3130	4.1065	3.5262	3.9601	4.3808
H2	1.0937		1.7792	1.7841	2.1446	2.5001	3.3469	2.6772	4.0126	4.7026	4.4465	4.3356	4.8260	5.1928
H3	1.0933	1.7792		1.7816	2.1406	2.5064	2.6633	3.3306	4.3203	5.1832	4.7808	4.0087	4.4693	4.7028
H4	1.0933	1.7841	1.7816		2.1332	3.0664	2.6535	2.6272	3.7379	4.2967	4.5242	3.6053	3.7288	4.5821
C5	1.5051	2.1446	2.1406	2.1332		1.1068	1.4163	1.4032	2.2192	3.1583	2.6601	2.2886	3.0109	3.0604
H6	2.1676	2.5001	2.5064	3.0664	1.1068		2.0573	2.0550	2.6281	3.6644	2.6011	2.8413	3.7765	3.3024
O7	2.4020	3.3469	2.6633	2.6535	1.4163	2.0573		2.2582	2.3220	3.2282	2.8800	1.4172	2.0574	2.0730
O8	2.3895	2.6772	3.3306	2.6272	1.4032	2.0550	2.2582		1.4109	2.0423	2.0746	2.3008	2.8585	3.2094
C9	3.5498	4.0126	4.3203	3.7379	2.2192	2.6281	2.3220	1.4109		1.0924	1.1015	1.5321	2.1932	2.2003
H10	4.3130	4.7026	5.1832	4.2967	3.1583	3.6644	3.2282	2.0423	1.0924		1.7870	2.2171	2.4290	2.8442
H11	4.1065	4.4465	4.7808	4.5242	2.6601	2.6011	2.8800	2.0746	1.1015	1.7870		2.1860	3.0571	2.3933
C12	3.5262	4.3356	4.0087	3.6053	2.2886	2.8413	1.4172	2.3008	1.5321	2.2171	2.1860		1.0972	1.0967
H13	3.9601	4.8260	4.4693	3.7288	3.0109	3.7765	2.0574	2.8585	2.1932	2.4290	3.0571	1.0972		1.7831
H14	4.3808	5.1928	4.7028	4.5821	3.0604	3.3024	2.0730	3.2094	2.2003	2.8442	2.3933	1.0967	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.264	C1	C5	O7	110.578
C1	C5	O8	110.449	H2	C1	H3	108.879
H2	C1	H4	109.325	H2	C1	C5	110.215
H3	C1	H4	109.126	H3	C1	C5	109.927
H4	C1	C5	109.347	C5	O7	C12	107.742
C5	O8	C9	104.114	H6	C5	O7	108.626
H6	C5	O8	109.351	O7	C5	O8	106.435
O7	C12	C9	103.803	O7	C12	H13	109.160
O7	C12	H14	110.450	O8	C9	H10	108.678
O8	C9	H11	110.736	O8	C9	C12	102.772
C9	C12	H13	111.996	C9	C12	H14	112.592
H10	C9	H11	109.085	H10	C9	C12	114.249
H11	C9	C12	111.157	H13	C12	H14	108.733

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

using model chemistry: PBE1PBE/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	-0.540
2	H	0.184
3	H	0.187
4	H	0.190
5	C	0.341
6	H	0.138
7	O	-0.502
8	O	-0.478
9	C	-0.131
10	H	0.189
11	H	0.164
12	C	-0.082
13	H	0.172
14	H	0.167

	x	y	z	Total
	1.075	-0.245	0.372	1.164
CHELPG
AIM
ESP

	x	y	z
x	8.302	0.039	-0.170
y	0.039	6.246	-0.114
z	-0.170	-0.114	6.356

<r²>	148.659
(<r²>)^1/2	12.193

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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