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	hartrees
Energy at 0K	-52.411424
Energy at 298.15K	-52.419512
Nuclear repulsion energy	105.840779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3113	3033	19.33
2	A	3013	2937	20.13
3	A	3006	2929	117.51
4	A	1539	1499	2.24
5	A	1519	1480	0.07
6	A	1362	1328	4.17
7	A	1225	1194	9.44
8	A	1165	1135	22.07
9	A	1138	1109	2.35
10	A	1071	1044	154.90
11	A	948	924	8.49
12	A	891	868	8.73
13	A	683	665	0.33
14	A	245	239	1.02
15	A	3122	3042	55.54
16	A	3084	3005	62.48
17	A	3012	2936	81.72
18	A	1516	1477	3.64
19	A	1399	1363	3.75
20	A	1338	1304	0.64
21	A	1192	1161	1.25
22	A	1111	1082	12.69
23	A	1011	985	24.24
24	A	897	874	33.68
25	A	844	822	54.20
26	A	628	612	5.87
27	A	36	35	32.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.259
C2	-0.292	0.714	-0.986
C3	0.292	-0.714	-0.986
O4	0.000	1.183	0.388
O5	0.000	-1.183	0.388
H6	0.908	0.041	1.874
H7	-0.908	-0.041	1.874
H8	-1.377	0.711	-1.162
H9	1.377	-0.711	-1.162
H10	-0.203	-1.405	-1.674
H11	0.203	1.405	-1.674

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3747	2.3747	1.4693	1.4693	1.0970	1.0970	2.8749	2.8749	3.2589	3.2589
C2	2.3747		1.5434	1.4807	2.3605	3.1741	3.0220	1.0991	2.2016	2.2295	1.0928
C3	2.3747	1.5434		2.3605	1.4807	3.0220	3.1741	2.2016	1.0991	1.0928	2.2295
O4	1.4693	1.4807	2.3605		2.3655	2.0825	2.1288	2.1262	2.8077	3.3146	2.0837
O5	1.4693	2.3605	1.4807	2.3655		2.1288	2.0825	2.8077	2.1262	2.0837	3.3146
H6	1.0970	3.1741	3.0220	2.0825	2.1288		1.8170	3.8583	3.1631	3.9893	3.8662
H7	1.0970	3.0220	3.1741	2.1288	2.0825	1.8170		3.1631	3.8583	3.8662	3.9893
H8	2.8749	1.0991	2.2016	2.1262	2.8077	3.8583	3.1631		3.0991	2.4729	1.7997
H9	2.8749	2.2016	1.0991	2.8077	2.1262	3.1631	3.8583	3.0991		1.7997	2.4729
H10	3.2589	2.2295	1.0928	3.3146	2.0837	3.9893	3.8662	2.4729	1.7997		2.8381
H11	3.2589	1.0928	2.2295	2.0837	3.3146	3.8662	3.9893	1.7997	2.4729	2.8381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	107.212	C1	O5	C3	107.212
C2	C3	O5	102.605	C2	C3	H9	111.741
C2	C3	H10	114.416	C3	C2	O4	102.605
C3	C2	H8	111.741	C3	C2	H11	114.416
O4	C1	O5	107.215	O4	C1	H6	107.595
O4	C1	H7	111.270	O4	C2	H8	110.126
O4	C2	H11	107.165	O5	C1	H6	111.270
O5	C1	H7	107.595	O5	C3	H9	110.126
O5	C3	H10	107.165	H6	C1	H7	111.825
H8	C2	H11	110.377	H9	C3	H10	110.377

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

using model chemistry: B3LYP/CEP-121G

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	-0.020
2	C	-0.158
3	C	-0.158
4	O	-0.290
5	O	-0.290
6	H	0.150
7	H	0.150
8	H	0.147
9	H	0.147
10	H	0.161
11	H	0.161

	x	y	z
x	5.266	-0.060	0.000
y	-0.060	5.355	0.000
z	0.000	0.000	7.056

<r²>	82.332
(<r²>)^1/2	9.074

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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