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	hartrees
Energy at 0K	-268.257627
Energy at 298.15K	-268.265695
Nuclear repulsion energy	191.920904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3031	3008	24.99
2	A	2917	2895	1.93
3	A	2905	2882	151.77
4	A	1523	1511	6.24
5	A	1486	1474	4.07
6	A	1344	1333	10.21
7	A	1213	1204	6.65
8	A	1161	1152	36.32
9	A	1123	1115	7.20
10	A	1073	1065	161.41
11	A	913	906	11.03
12	A	913	906	0.13
13	A	699	694	1.77
14	A	264	262	0.52
15	A	3035	3012	41.92
16	A	2938	2915	116.45
17	A	2927	2904	66.72
18	A	1483	1472	0.59
19	A	1394	1383	12.46
20	A	1306	1296	0.14
21	A	1184	1175	1.44
22	A	1114	1106	11.83
23	A	1001	993	23.21
24	A	898	891	49.93
25	A	865	859	36.44
26	A	625	621	3.07
27	A	31	31	15.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.218
C2	-0.302	0.706	-0.956
C3	0.302	-0.706	-0.956
O4	0.000	1.166	0.379
O5	0.000	-1.166	0.379
H6	0.906	0.049	1.855
H7	-0.906	-0.049	1.855
H8	-1.395	0.674	-1.136
H9	1.395	-0.674	-1.136
H10	-0.166	-1.401	-1.669
H11	0.166	1.401	-1.669

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3062	2.3062	1.4369	1.4369	1.1082	1.1082	2.8186	2.8186	3.2135	3.2135
C2	2.3062		1.5352	1.4445	2.3190	3.1291	2.9724	1.1082	2.1948	2.2281	1.1002
C3	2.3062	1.5352		2.3190	1.4445	2.9724	3.1291	2.1948	1.1082	1.1002	2.2281
O4	1.4369	1.4445	2.3190		2.3323	2.0604	2.1156	2.1176	2.7619	3.2881	2.0678
O5	1.4369	2.3190	1.4445	2.3323		2.1156	2.0604	2.7619	2.1176	2.0678	3.2881
H6	1.1082	3.1291	2.9724	2.0604	2.1156		1.8151	3.8249	3.1153	3.9581	3.8455
H7	1.1082	2.9724	3.1291	2.1156	2.0604	1.8151		3.1153	3.8249	3.8455	3.9581
H8	2.8186	1.1082	2.1948	2.1176	2.7619	3.8249	3.1153		3.0991	2.4700	1.8028
H9	2.8186	2.1948	1.1082	2.7619	2.1176	3.1153	3.8249	3.0991		1.8028	2.4700
H10	3.2135	2.2281	1.1002	3.2881	2.0678	3.9581	3.8455	2.4700	1.8028		2.8218
H11	3.2135	1.1002	2.2281	2.0678	3.2881	3.8455	3.9581	1.8028	2.4700	2.8218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	106.336	C1	O5	C3	106.336
C2	C3	O5	102.164	C2	C3	H9	111.232
C2	C3	H10	114.428	C3	C2	O4	102.164
C3	C2	H8	111.232	C3	C2	H11	114.428
O4	C1	O5	108.504	O4	C1	H6	107.402
O4	C1	H7	111.809	O4	C2	H8	111.430
O4	C2	H11	107.935	O5	C1	H6	111.809
O5	C1	H7	107.402	O5	C3	H9	111.430
O5	C3	H10	107.935	H6	C1	H7	109.952
H8	C2	H11	109.439	H9	C3	H10	109.439

All results from a given calculation for C₃H₆O₂ (1,3-Dioxolane)

using model chemistry: BLYP/6-31G**

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	0.295
2	C	0.052
3	C	0.052
4	O	-0.464
5	O	-0.464
6	H	0.083
7	H	0.083
8	H	0.086
9	H	0.086
10	H	0.096
11	H	0.096

	x	y	z
x	5.250	-0.063	0.000
y	-0.063	5.133	0.000
z	0.000	0.000	6.820

<r²>	95.134
(<r²>)^1/2	9.754

All results from a given calculation for C3H6O2 (1,3-Dioxolane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₃H₆O₂ (1,3-Dioxolane)