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	hartrees
Energy at 0K	-307.613818
Energy at 298.15K	-307.624264
Nuclear repulsion energy	263.528003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3031	15.05
2	A	3179	3026	11.09
3	A	3162	3010	26.12
4	A	3119	2969	34.49
5	A	3088	2939	8.91
6	A	3073	2925	65.83
7	A	3038	2892	54.61
8	A	2972	2829	93.52
9	A	1540	1466	0.53
10	A	1522	1449	4.61
11	A	1494	1422	3.06
12	A	1493	1421	9.14
13	A	1454	1384	78.32
14	A	1401	1333	2.81
15	A	1393	1326	11.56
16	A	1387	1320	0.16
17	A	1346	1281	0.63
18	A	1262	1201	23.42
19	A	1235	1176	1.80
20	A	1197	1139	123.08
21	A	1173	1117	32.82
22	A	1148	1092	64.48
23	A	1124	1070	51.52
24	A	1100	1047	16.64
25	A	1074	1023	46.91
26	A	968	922	8.29
27	A	896	853	51.65
28	A	887	844	2.76
29	A	864	822	7.32
30	A	708	674	1.34
31	A	693	660	3.37
32	A	511	487	4.34
33	A	332	316	6.77
34	A	224	213	0.48
35	A	203	194	5.55
36	A	52	50	4.99

Atom	x (Å)	y (Å)	z (Å)
C1	-2.083	0.012	-0.177
H2	-2.627	-0.897	0.088
H3	-2.616	0.873	0.231
H4	-2.036	0.102	-1.264
C5	-0.691	-0.039	0.387
H6	-0.704	-0.142	1.487
O7	0.031	1.134	0.050
O8	0.035	-1.109	-0.166
C9	1.390	-0.759	0.043
H10	2.003	-1.299	-0.678
H11	1.703	-1.033	1.060
C12	1.389	0.764	-0.152
H13	1.682	1.053	-1.166
H14	2.035	1.278	0.567

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0918	1.0915	1.0914	1.5036	2.1672	2.4046	2.3967	3.5644	4.3210	4.1182	3.5531	4.0295	4.3727
H2	1.0918		1.7758	1.7816	2.1394	2.4955	3.3457	2.6829	4.0195	4.7107	4.4403	4.3528	4.8929	5.1673
H3	1.0915	1.7758		1.7789	2.1359	2.5029	2.6659	3.3335	4.3292	5.1846	4.7929	4.0247	4.5224	4.6808
H4	1.0914	1.7816	1.7789		2.1343	3.0663	2.6579	2.6381	3.7662	4.3153	4.5463	3.6614	3.8386	4.6162
C5	1.5036	2.1394	2.1359	2.1343		1.1051	1.4176	1.4063	2.2280	3.1592	2.6778	2.2934	3.0382	3.0327
H6	2.1672	2.4955	2.5029	3.0663	1.1051		2.0577	2.0528	2.6169	3.6547	2.6016	2.8087	3.7627	3.2201
O7	2.4046	3.3457	2.6659	2.6579	1.4176	2.0577		2.2530	2.3299	3.2155	2.9171	1.4220	2.0517	2.0746
O8	2.3967	2.6829	3.3335	2.6381	1.4063	2.0528	2.2530		1.4145	2.0426	2.0717	2.3106	2.8951	3.1992
C9	3.5644	4.0195	4.3292	3.7662	2.2280	2.6169	2.3299	1.4145		1.0904	1.0989	1.5350	2.1975	2.2002
H10	4.3210	4.7107	5.1846	4.3153	3.1592	3.6547	3.2155	2.0426	1.0904		1.7845	2.2156	2.4231	2.8623
H11	4.1182	4.4403	4.7929	4.5463	2.6778	2.6016	2.9171	2.0717	1.0989	1.7845		2.1897	3.0504	2.3862
C12	3.5531	4.3528	4.0247	3.6614	2.2934	2.8087	1.4220	2.3106	1.5350	2.2156	2.1897		1.0941	1.0948
H13	4.0295	4.8929	4.5224	3.8386	3.0382	3.7627	2.0517	2.8951	2.1975	2.4231	3.0504	1.0941		1.7825
H14	4.3727	5.1673	4.6808	4.6162	3.0327	3.2201	2.0746	3.1992	2.2002	2.8623	2.3862	1.0948	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.442	C1	C5	O7	110.767
C1	C5	O8	110.858	H2	C1	H3	108.853
H2	C1	H4	109.381	H2	C1	C5	110.020
H3	C1	H4	109.161	H3	C1	C5	109.765
H4	C1	C5	109.641	C5	O7	C12	107.734
C5	O8	C9	104.349	H6	C5	O7	108.675
H6	C5	O8	109.068	O7	C5	O8	105.847
O7	C12	C9	103.915	O7	C12	H13	108.559
O7	C12	H14	110.361	O8	C9	H10	108.571
O8	C9	H11	110.401	O8	C9	C12	103.069
C9	C12	H13	112.320	C9	C12	H14	112.492
H10	C9	H11	109.186	H10	C9	C12	114.035
H11	C9	C12	111.394	H13	C12	H14	109.041

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.489
2	H	0.180
3	H	0.183
4	H	0.193
5	C	-0.028
6	H	0.135
7	O	-0.334
8	O	-0.307
9	C	-0.085
10	H	0.170
11	H	0.155
12	C	-0.089
13	H	0.161
14	H	0.155

	x	y	z	Total
	1.167	-0.244	0.547	1.311
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>	149.703
(<r²>)^1/2	12.235

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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