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	hartrees
Energy at 0K	-307.310002
Energy at 298.15K	-307.320265
Nuclear repulsion energy	261.257695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3090	3072	11.59
2	A	3086	3068	11.51
3	A	3048	3031	26.17
4	A	2992	2974	10.46
5	A	2986	2968	50.90
6	A	2943	2926	69.62
7	A	2904	2887	62.43
8	A	2822	2806	114.17
9	A	1451	1443	0.40
10	A	1431	1422	6.22
11	A	1407	1399	7.40
12	A	1405	1397	5.29
13	A	1373	1365	68.68
14	A	1325	1317	9.41
15	A	1320	1313	3.68
16	A	1314	1307	4.79
17	A	1267	1260	0.53
18	A	1198	1191	19.76
19	A	1170	1163	0.81
20	A	1139	1133	85.87
21	A	1112	1105	32.89
22	A	1086	1080	59.52
23	A	1061	1055	53.52
24	A	1034	1028	37.91
25	A	1013	1007	33.59
26	A	929	924	10.37
27	A	857	852	4.12
28	A	843	838	35.29
29	A	818	813	19.43
30	A	685	681	1.14
31	A	653	650	1.82
32	A	489	486	3.87
33	A	319	317	4.94
34	A	220	218	1.49
35	A	205	204	2.12
36	A	53	53	2.95

Atom	x (Å)	y (Å)	z (Å)
C1	-2.086	0.014	-0.194
H2	-2.651	-0.904	0.057
H3	-2.630	0.888	0.212
H4	-2.015	0.112	-1.295
C5	-0.696	-0.048	0.398
H6	-0.733	-0.168	1.515
O7	0.034	1.151	0.091
O8	0.036	-1.124	-0.169
C9	1.397	-0.756	0.054
H10	2.033	-1.324	-0.651
H11	1.708	-0.996	1.100
C12	1.387	0.765	-0.185
H13	1.633	1.022	-1.239
H14	2.090	1.305	0.486

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.1072	1.1066	1.1071	1.5126	2.1882	2.4223	2.4081	3.5758	4.3551	4.1344	3.5533	3.9929	4.4240
H2	1.1072		1.7990	1.8068	2.1617	2.5199	3.3813	2.7053	4.0505	4.7556	4.4832	4.3760	4.8731	5.2485
H3	1.1066	1.7990		1.8037	2.1566	2.5321	2.6797	3.3614	4.3524	5.2328	4.8121	4.0386	4.5059	4.7467
H4	1.1071	1.8068	1.8037		2.1518	3.1014	2.6825	2.6455	3.7698	4.3427	4.5631	3.6370	3.7601	4.6307
C5	1.5126	2.1617	2.1566	2.1518		1.1245	1.4363	1.4193	2.2359	3.1900	2.6779	2.3105	3.0416	3.0986
H6	2.1882	2.5199	2.5321	3.1014	1.1245		2.0870	2.0837	2.6489	3.6986	2.6108	2.8732	3.8217	3.3469
O7	2.4223	3.3813	2.6797	2.6825	1.4363	2.0870		2.2891	2.3442	3.2668	2.9034	1.4339	2.0844	2.0996
O8	2.4081	2.7053	3.3614	2.6455	1.4193	2.0837	2.2891		1.4271	2.0640	2.1031	2.3219	2.8815	3.2479
C9	3.5758	4.0505	4.3524	3.7698	2.2359	2.6489	2.3442	1.4271		1.1066	1.1174	1.5396	2.2121	2.2176
H10	4.3551	4.7556	5.2328	4.3427	3.1900	3.6986	3.2668	2.0640	1.1066		1.8110	2.2356	2.4522	2.8654
H11	4.1344	4.4832	4.8121	4.5631	2.6779	2.6108	2.9034	2.1031	1.1174	1.8110		2.2034	3.0909	2.4126
C12	3.5533	4.3760	4.0386	3.6370	2.3105	2.8732	1.4339	2.3219	1.5396	2.2356	2.2034		1.1130	1.1122
H13	3.9929	4.8731	4.5059	3.7601	3.0416	3.8217	2.0844	2.8815	2.2121	2.4522	3.0909	1.1130		1.8069
H14	4.4240	5.2485	4.7467	4.6307	3.0986	3.3469	2.0996	3.2479	2.2176	2.8654	2.4126	1.1122	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.305	C1	C5	O7	110.434
C1	C5	O8	110.398	H2	C1	H3	108.711
H2	C1	H4	109.365	H2	C1	C5	110.251
H3	C1	H4	109.132	H3	C1	C5	109.883
H4	C1	C5	109.477	C5	O7	C12	107.214
C5	O8	C9	103.536	H6	C5	O7	108.558
H6	C5	O8	109.445	O7	C5	O8	106.568
O7	C12	C9	104.006	O7	C12	H13	109.203
O7	C12	H14	110.462	O8	C9	H10	108.443
O8	C9	H11	110.906	O8	C9	C12	102.938
C9	C12	H13	112.003	C9	C12	H14	112.495
H10	C9	H11	109.041	H10	C9	C12	114.310
H11	C9	C12	111.054	H13	C12	H14	108.585

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.007
2	H	0.040
3	H	0.044
4	H	0.038
5	C	0.161
6	H	0.000
7	O	-0.296
8	O	-0.268
9	C	0.065
10	H	0.033
11	H	0.022
12	C	0.112
13	H	0.031
14	H	0.024

	x	y	z	Total
	0.894	-0.257	0.307	0.979
CHELPG
AIM
ESP

	x	y	z
x	9.356	0.050	-0.117
y	0.050	6.820	-0.158
z	-0.117	-0.158	6.973

<r²>	151.334
(<r²>)^1/2	12.302

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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