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	hartrees
Energy at 0K	-307.537574
Energy at 298.15K	-307.548025
HF Energy	-307.163956
Nuclear repulsion energy	263.206451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3029	17.09
2	A	3151	3023	12.88
3	A	3144	3016	28.16
4	A	3100	2974	36.19
5	A	3071	2946	8.61
6	A	3059	2934	64.59
7	A	3024	2901	52.73
8	A	2958	2838	89.63
9	A	1545	1482	0.33
10	A	1528	1466	3.10
11	A	1500	1439	2.21
12	A	1499	1438	6.24
13	A	1452	1393	70.88
14	A	1407	1350	0.81
15	A	1398	1341	8.04
16	A	1384	1327	0.53
17	A	1349	1294	0.74
18	A	1262	1211	15.74
19	A	1238	1188	1.95
20	A	1188	1140	54.48
21	A	1168	1121	44.86
22	A	1139	1093	75.46
23	A	1118	1073	46.75
24	A	1069	1025	27.06
25	A	1046	1004	59.11
26	A	959	920	12.70
27	A	884	848	3.78
28	A	880	844	51.22
29	A	852	817	10.92
30	A	705	677	1.18
31	A	688	660	3.34
32	A	511	490	4.27
33	A	331	318	5.59
34	A	220	211	0.48
35	A	202	193	4.26
36	A	57	55	3.88

Atom	x (Å)	y (Å)	z (Å)
C1	-2.069	0.014	-0.216
H2	-2.621	-0.898	0.005
H3	-2.617	0.863	0.186
H4	-1.974	0.126	-1.294
C5	-0.701	-0.050	0.405
H6	-0.761	-0.171	1.496
O7	0.037	1.138	0.127
O8	0.039	-1.116	-0.145
C9	1.397	-0.746	0.048
H10	2.011	-1.302	-0.654
H11	1.717	-0.970	1.070
C12	1.372	0.760	-0.208
H13	1.562	0.995	-1.256
H14	2.080	1.307	0.415

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0881	1.0876	1.0874	1.5042	2.1628	2.4128	2.3935	3.5584	4.3095	4.1179	3.5214	3.9026	4.3915
H2	1.0881		1.7704	1.7756	2.1368	2.4925	3.3508	2.6737	4.0212	4.6959	4.4672	4.3288	4.7612	5.2082
H3	1.0876	1.7704		1.7735	2.1332	2.4957	2.6688	3.3289	4.3262	5.1776	4.7875	4.0091	4.4223	4.7227
H4	1.0874	1.7756	1.7735		2.1301	3.0563	2.6627	2.6298	3.7313	4.2813	4.5178	3.5745	3.6414	4.5547
C5	1.5042	2.1368	2.1332	2.1301		1.0990	1.4260	1.4100	2.2392	3.1693	2.6711	2.3084	2.9952	3.0940
H6	2.1628	2.4925	2.4957	3.0563	1.0990		2.0548	2.0560	2.6615	3.6855	2.6378	2.8839	3.7849	3.3793
O7	2.4128	3.3508	2.6688	2.6627	1.4260	2.0548		2.2706	2.3244	3.2344	2.8555	1.4268	2.0637	2.0693
O8	2.3935	2.6737	3.3289	2.6298	1.4100	2.0560	2.2706		1.4203	2.0444	2.0763	2.3022	2.8296	3.2165
C9	3.5584	4.0212	4.3262	3.7313	2.2392	2.6615	2.3244	1.4203		1.0857	1.0947	1.5277	2.1806	2.1938
H10	4.3095	4.6959	5.1776	4.2813	3.1693	3.6855	3.2344	2.0444	1.0857		1.7800	2.2052	2.4168	2.8203
H11	4.1179	4.4672	4.7875	4.5178	2.6711	2.6378	2.8555	2.0763	1.0947	1.7800		2.1788	3.0489	2.3971
C12	3.5214	4.3288	4.0091	3.5745	2.3084	2.8839	1.4268	2.3022	1.5277	2.2052	2.1788		1.0908	1.0895
H13	3.9026	4.7612	4.4223	3.6414	2.9952	3.7849	2.0637	2.8296	2.1806	2.4168	3.0489	1.0908		1.7767
H14	4.3915	5.2082	4.7227	4.5547	3.0940	3.3793	2.0693	3.2165	2.1938	2.8203	2.3971	1.0895	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.419	C1	C5	O7	110.830
C1	C5	O8	110.391	H2	C1	H3	108.919
H2	C1	H4	109.409	H2	C1	C5	109.997
H3	C1	H4	109.254	H3	C1	C5	109.742
H4	C1	C5	109.503	C5	O7	C12	108.035
C5	O8	C9	104.581	H6	C5	O7	108.238
H6	C5	O8	109.431	O7	C5	O8	106.378
O7	C12	C9	103.715	O7	C12	H13	109.390
O7	C12	H14	109.920	O8	C9	H10	108.597
O8	C9	H11	110.630	O8	C9	C12	102.632
C9	C12	H13	111.679	C9	C12	H14	112.838
H10	C9	H11	109.449	H10	C9	C12	114.019
H11	C9	C12	111.305	H13	C12	H14	109.153

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

using model chemistry: B2PLYP/cc-pVTZ

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	-0.269
2	H	0.097
3	H	0.099
4	H	0.097
5	C	0.289
6	H	0.045
7	O	-0.355
8	O	-0.337
9	C	-0.027
10	H	0.100
11	H	0.079
12	C	0.024
13	H	0.082
14	H	0.076

	x	y	z
x	9.404	0.028	-0.100
y	0.028	7.248	-0.117
z	-0.100	-0.117	7.094

<r²>	149.915
(<r²>)^1/2	12.244

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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