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	hartrees
Energy at 0K	-304.142007
Energy at 298.15K	-304.152670
Nuclear repulsion energy	261.698015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3324	3000	42.25
2	A	3312	2989	17.45
3	A	3299	2978	49.27
4	A	3292	2971	17.25
5	A	3264	2946	37.73
6	A	3243	2927	46.56
7	A	3236	2920	35.62
8	A	3223	2910	9.56
9	A	1690	1526	0.02
10	A	1678	1514	1.30
11	A	1659	1497	3.74
12	A	1656	1495	3.41
13	A	1577	1424	19.57
14	A	1551	1400	55.69
15	A	1520	1372	1.64
16	A	1494	1349	13.17
17	A	1446	1306	8.96
18	A	1359	1226	12.84
19	A	1326	1197	1.60
20	A	1256	1134	125.70
21	A	1249	1127	47.37
22	A	1224	1105	48.53
23	A	1224	1105	75.26
24	A	1142	1031	15.55
25	A	1086	981	37.01
26	A	984	888	2.15
27	A	981	885	8.56
28	A	932	842	47.77
29	A	882	796	5.34
30	A	755	681	2.46
31	A	692	624	7.40
32	A	495	447	18.47
33	A	365	329	4.18
34	A	244	221	0.54
35	A	217	196	0.94
36	A	58	52	15.54

Atom	x (Å)	y (Å)	z (Å)
C1	1.998	0.009	0.366
H2	2.564	-0.908	0.281
H3	2.609	0.843	0.047
H4	1.710	0.152	1.398
C5	0.753	-0.072	-0.484
H6	0.971	-0.200	-1.532
O7	-0.045	1.123	-0.345
O8	-0.066	-1.156	-0.009
C9	-1.441	-0.706	0.029
H10	-1.955	-1.254	0.800
H11	-1.917	-0.862	-0.930
C12	-1.282	0.791	0.332
H13	-1.186	0.964	1.394
H14	-2.071	1.399	-0.078

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0818	1.0816	1.0815	1.5095	2.1682	2.4327	2.3988	3.5280	4.1723	4.2142	3.3719	3.4791	4.3223
H2	1.0818		1.7672	1.7610	2.1369	2.5159	3.3655	2.6573	4.0180	4.5620	4.6419	4.2053	4.3368	5.1903
H3	1.0816	1.7672		1.7638	2.1371	2.5039	2.6980	3.3394	4.3359	5.0789	4.9342	3.9023	4.0287	4.7148
H4	1.0815	1.7610	1.7638		2.1241	3.0432	2.6581	2.6158	3.5411	3.9710	4.4275	3.2407	3.0080	4.2466
C5	1.5095	2.1369	2.1371	2.1241		1.0782	1.4437	1.4384	2.3399	3.2212	2.8192	2.3562	2.8913	3.2101
H6	2.1682	2.5159	2.5039	3.0432	1.0782		2.0474	2.0755	2.9166	3.8868	3.0229	3.0875	3.8170	3.7319
O7	2.4327	3.3655	2.6980	2.6581	1.4437	2.0474		2.3030	2.3303	3.2569	2.7898	1.4488	2.0858	2.0619
O8	2.3988	2.6573	3.3394	2.6158	1.4384	2.0755	2.3030		1.4472	2.0573	2.0883	2.3203	2.7776	3.2487
C9	3.5280	4.0180	4.3359	3.5411	2.3399	2.9166	2.3303	1.4472		1.0768	1.0815	1.5349	2.1718	2.2001
H10	4.1723	4.5620	5.0789	3.9710	3.2212	3.8868	3.2569	2.0573	1.0768		1.7735	2.2028	2.4219	2.7973
H11	4.2142	4.6419	4.9342	4.4275	2.8192	3.0229	2.7898	2.0883	1.0815	1.7735		2.1736	3.0442	2.4215
C12	3.3719	4.2053	3.9023	3.2407	2.3562	3.0875	1.4488	2.3203	1.5349	2.2028	2.1736		1.0805	1.0771
H13	3.4791	4.3368	4.0287	3.0080	2.8913	3.8170	2.0858	2.7776	2.1718	2.4219	3.0442	1.0805		1.7715
H14	4.3223	5.1903	4.7148	4.2466	3.2101	3.7319	2.0619	3.2487	2.2001	2.7973	2.4215	1.0771	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	112.769	C1	C5	O7	110.903
C1	C5	O8	108.898	H2	C1	H3	109.544
H2	C1	H4	108.984	H2	C1	C5	110.004
H3	C1	H4	109.253	H3	C1	C5	110.031
H4	C1	C5	109.004	C5	O7	C12	109.098
C5	O8	C9	108.365	H6	C5	O7	107.673
H6	C5	O8	110.301	O7	C5	O8	106.085
O7	C12	C9	102.669	O7	C12	H13	110.262
O7	C12	H14	108.541	O8	C9	H10	108.299
O8	C9	H11	110.514	O8	C9	C12	102.127
C9	C12	H13	111.086	C9	C12	H14	113.612
H10	C9	H11	110.520	H10	C9	C12	113.864
H11	C9	C12	111.172	H13	C12	H14	110.374

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

using model chemistry: HF/3-21G*

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	CHELPG
1	C	-0.604	-0.539
2	H	0.215	0.124
3	H	0.214	0.126
4	H	0.220	0.174
5	C	0.407	0.781
6	H	0.217	-0.020
7	O	-0.652	-0.600
8	O	-0.651	-0.580
9	C	-0.132	0.148
10	H	0.230	0.058
11	H	0.215	0.045
12	C	-0.121	0.212
13	H	0.216	0.037
14	H	0.225	0.035

	x	y	z	Total
	-1.422	-0.020	0.351	1.464
CHELPG	-1.432	-0.015	0.384	1.482
AIM
ESP

	x	y	z
x	7.380	-0.050	-0.303
y	-0.050	5.515	0.087
z	-0.303	0.087	5.633

<r²>	148.796
(<r²>)^1/2	12.198

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

using model chemistry: HF/3-21G*

States and conformations

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