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	hartrees
Energy at 0K	-305.943393
Energy at 298.15K	-305.954124
HF Energy	-305.943393
Nuclear repulsion energy	265.370986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	2970	62.76
2	A	3266	2967	29.17
3	A	3256	2958	25.99
4	A	3237	2941	32.18
5	A	3197	2905	82.12
6	A	3187	2895	19.89
7	A	3167	2877	55.16
8	A	3113	2828	91.93
9	A	1669	1517	1.43
10	A	1651	1500	3.06
11	A	1610	1463	35.04
12	A	1607	1461	2.38
13	A	1588	1443	60.90
14	A	1536	1395	24.77
15	A	1525	1386	2.30
16	A	1515	1377	0.42
17	A	1477	1342	0.21
18	A	1366	1241	22.62
19	A	1344	1222	5.08
20	A	1292	1174	172.41
21	A	1281	1164	77.32
22	A	1246	1132	47.26
23	A	1224	1112	43.88
24	A	1193	1084	6.59
25	A	1158	1052	60.70
26	A	1022	929	14.03
27	A	985	895	56.36
28	A	940	854	5.59
29	A	921	836	2.12
30	A	779	708	2.14
31	A	764	694	5.61
32	A	548	498	5.39
33	A	355	323	6.03
34	A	243	221	0.04
35	A	190	172	8.32
36	A	44	40	3.69

Atom	x (Å)	y (Å)	z (Å)
C1	-2.063	0.011	-0.225
H2	-2.608	-0.900	-0.011
H3	-2.615	0.853	0.173
H4	-1.967	0.125	-1.298
C5	-0.697	-0.047	0.405
H6	-0.773	-0.163	1.485
O7	0.040	1.116	0.136
O8	0.046	-1.100	-0.120
C9	1.392	-0.744	0.027
H10	1.985	-1.284	-0.696
H11	1.743	-0.985	1.028
C12	1.358	0.764	-0.204
H13	1.542	1.014	-1.242
H14	2.061	1.304	0.418

	C1	H2	H3	H4	C5	H6	O7	O8	C9	H10	H11	C12	H13	H14
C1		1.0834	1.0830	1.0826	1.5056	2.1498	2.4023	2.3864	3.5458	4.2757	4.1294	3.5034	3.8778	4.3694
H2	1.0834		1.7630	1.7659	2.1339	2.4800	3.3308	2.6643	4.0036	4.6594	4.4746	4.3060	4.7334	5.1809
H3	1.0830	1.7630		1.7645	2.1318	2.4800	2.6680	3.3143	4.3165	5.1460	4.8071	3.9926	4.3948	4.7041
H4	1.0826	1.7659	1.7645		2.1310	3.0421	2.6575	2.6348	3.7144	4.2385	4.5176	3.5587	3.6205	4.5341
C5	1.5056	2.1339	2.1318	2.1310		1.0895	1.4020	1.3914	2.2343	3.1513	2.6876	2.2919	2.9750	3.0708
H6	2.1498	2.4800	2.4800	3.0421	1.0895		2.0286	2.0308	2.6737	3.6898	2.6861	2.8732	3.7661	3.3645
O7	2.4023	3.3308	2.6680	2.6575	1.4020	2.0286		2.2300	2.3018	3.1988	2.8480	1.4065	2.0415	2.0495
O8	2.3864	2.6643	3.3143	2.6348	1.3914	2.0308	2.2300		1.3999	2.0303	2.0519	2.2812	2.8222	3.1823
C9	3.5458	4.0036	4.3165	3.7144	2.2343	2.6737	2.3018	1.3999		1.0796	1.0873	1.5263	2.1735	2.1896
H10	4.2757	4.6594	5.1460	4.2385	3.1513	3.6898	3.1988	2.0303	1.0796		1.7656	2.1978	2.4031	2.8188
H11	4.1294	4.4746	4.8071	4.5176	2.6876	2.6861	2.8480	2.0519	1.0873	1.7656		2.1740	3.0314	2.3904
C12	3.5034	4.3060	3.9926	3.5587	2.2919	2.8732	1.4065	2.2812	1.5263	2.1978	2.1740		1.0836	1.0824
H13	3.8778	4.7334	4.3948	3.6205	2.9750	3.7661	2.0415	2.8222	2.1735	2.4031	3.0314	1.0836		1.7636
H14	4.3694	5.1809	4.7041	4.5341	3.0708	3.3645	2.0495	3.1823	2.1896	2.8188	2.3904	1.0824	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.857	C1	C5	O7	111.371
C1	C5	O8	110.865	H2	C1	H3	108.934
H2	C1	H4	109.234	H2	C1	C5	109.953
H3	C1	H4	109.131	H3	C1	C5	109.803
H4	C1	C5	109.764	C5	O7	C12	109.383
C5	O8	C9	106.344	H6	C5	O7	108.366
H6	C5	O8	109.285	O7	C5	O8	105.939
O7	C12	C9	103.343	O7	C12	H13	109.459
O7	C12	H14	110.187	O8	C9	H10	109.254
O8	C9	H11	110.543	O8	C9	C12	102.360
C9	C12	H13	111.651	C9	C12	H14	113.040
H10	C9	H11	109.140	H10	C9	C12	113.897
H11	C9	C12	111.466	H13	C12	H14	109.019

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

using model chemistry: HF/TZVP

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	-0.220
2	H	0.086
3	H	0.087
4	H	0.088
5	C	0.208
6	H	0.040
7	O	-0.318
8	O	-0.317
9	C	0.000
10	H	0.097
11	H	0.075
12	C	0.025
13	H	0.079
14	H	0.071

	x	y	z	Total
	1.317	-0.153	0.660	1.481
CHELPG
AIM
ESP

	x	y	z
x	8.291	0.010	-0.126
y	0.010	6.617	-0.070
z	-0.126	-0.070	6.595

<r²>	148.584
(<r²>)^1/2	12.189

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

using model chemistry: HF/TZVP

States and conformations

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