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	hartrees
Energy at 0K	-268.045323
Energy at 298.15K
HF Energy	-268.045323
Nuclear repulsion energy	195.191745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	2997	20.63
2	A	3042	2891	3.06
3	A	3034	2883	133.89
4	A	1585	1507	5.23
5	A	1543	1467	1.95
6	A	1405	1335	10.55
7	A	1272	1209	11.98
8	A	1238	1176	103.67
9	A	1189	1130	96.60
10	A	1162	1104	33.57
11	A	1008	957	3.17
12	A	974	926	3.43
13	A	744	707	0.42
14	A	274	261	0.64
15	A	3158	3001	36.37
16	A	3077	2924	83.74
17	A	3049	2897	73.56
18	A	1538	1461	1.95
19	A	1457	1385	11.97
20	A	1358	1291	0.13
21	A	1245	1183	3.37
22	A	1171	1113	20.50
23	A	1118	1063	35.57
24	A	997	948	60.50
25	A	928	882	21.19
26	A	649	617	4.17
27	A	25i	24i	16.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.196
C2	-0.299	0.698	-0.938
C3	0.299	-0.698	-0.938
O4	0.000	1.142	0.372
O5	0.000	-1.142	0.372
H6	0.899	0.043	1.828
H7	-0.899	-0.043	1.828
H8	-1.385	0.664	-1.111
H9	1.385	-0.664	-1.111
H10	-0.162	-1.388	-1.649
H11	0.162	1.388	-1.649

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.2648	2.2648	1.4081	1.4081	1.0998	1.0998	2.7715	2.7715	3.1697	3.1697
C2	2.2648		1.5177	1.4149	2.2776	3.0843	2.9258	1.1007	2.1726	2.2081	1.0930
C3	2.2648	1.5177		2.2776	1.4149	2.9258	3.0843	2.1726	1.1007	1.0930	2.2081
O4	1.4081	1.4149	2.2776		2.2834	2.0336	2.0817	2.0845	2.7164	3.2420	2.0421
O5	1.4081	2.2776	1.4149	2.2834		2.0817	2.0336	2.7164	2.0845	2.0421	3.2420
H6	1.0998	3.0843	2.9258	2.0336	2.0817		1.8000	3.7736	3.0618	3.9070	3.8003
H7	1.0998	2.9258	3.0843	2.0817	2.0336	1.8000		3.0618	3.7736	3.8003	3.9070
H8	2.7715	1.1007	2.1726	2.0845	2.7164	3.7736	3.0618		3.0725	2.4495	1.7907
H9	2.7715	2.1726	1.1007	2.7164	2.0845	3.0618	3.7736	3.0725		1.7907	2.4495
H10	3.1697	2.2081	1.0930	3.2420	2.0421	3.9070	3.8003	2.4495	1.7907		2.7955
H11	3.1697	1.0930	2.2081	2.0421	3.2420	3.8003	3.9070	1.7907	2.4495	2.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	106.694	C1	O5	C3	106.694
C2	C3	O5	101.857	C2	C3	H9	111.148
C2	C3	H10	114.531	C3	C2	O4	101.857
C3	C2	H8	111.148	C3	C2	H11	114.531
O4	C1	O5	108.352	O4	C1	H6	107.725
O4	C1	H7	111.615	O4	C2	H8	111.304
O4	C2	H11	108.351	O5	C1	H6	111.615
O5	C1	H7	107.725	O5	C3	H9	111.304
O5	C3	H10	108.351	H6	C1	H7	109.833
H8	C2	H11	109.430	H9	C3	H10	109.430

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

using model chemistry: PBE1PBE/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	0.170
2	C	-0.106
3	C	-0.106
4	O	-0.490
5	O	-0.490
6	H	0.161
7	H	0.161
8	H	0.167
9	H	0.167
10	H	0.183
11	H	0.183

	x	y	z
x	5.031	-0.061	0.000
y	-0.061	4.809	0.000
z	0.000	0.000	6.311

<r²>	92.467
(<r²>)^1/2	9.616

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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