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	hartrees
Energy at 0K	-266.773633
Energy at 298.15K	-266.781651
Nuclear repulsion energy	187.946473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3057	3040	14.10
2	A	2947	2931	1.61
3	A	2933	2917	124.93
4	A	1559	1550	6.63
5	A	1519	1511	2.32
6	A	1340	1332	12.18
7	A	1206	1200	4.44
8	A	1122	1116	22.39
9	A	1100	1094	0.13
10	A	1001	996	116.21
11	A	892	887	10.04
12	A	865	860	3.28
13	A	659	655	1.09
14	A	254	252	0.79
15	A	3062	3045	38.28
16	A	2974	2958	96.99
17	A	2956	2940	64.53
18	A	1518	1510	1.09
19	A	1368	1361	0.72
20	A	1293	1286	2.34
21	A	1165	1159	0.55
22	A	1073	1067	8.61
23	A	970	964	11.07
24	A	853	848	11.23
25	A	806	802	46.65
26	A	603	600	4.38
27	A	64	64	21.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.253
C2	-0.325	0.701	-0.981
C3	0.325	-0.701	-0.981
O4	0.000	1.203	0.386
O5	0.000	-1.203	0.386
H6	0.908	0.064	1.877
H7	-0.908	-0.064	1.877
H8	-1.415	0.624	-1.142
H9	1.415	-0.624	-1.142
H10	-0.126	-1.402	-1.695
H11	0.126	1.402	-1.695

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3638	2.3638	1.4831	1.4831	1.1039	1.1039	2.8511	2.8511	3.2672	3.2672
C2	2.3638		1.5446	1.4921	2.3662	3.1771	3.0155	1.1052	2.1930	2.2300	1.0980
C3	2.3638	1.5446		2.3662	1.4921	3.0155	3.1771	2.1930	1.1052	1.0980	2.2300
O4	1.4831	1.4921	2.3662		2.4063	2.0848	2.1573	2.1617	2.7707	3.3370	2.0944
O5	1.4831	2.3662	1.4921	2.4063		2.1573	2.0848	2.7707	2.1617	2.0944	3.3370
H6	1.1039	3.1771	3.0155	2.0848	2.1573		1.8214	3.8507	3.1376	3.9976	3.8940
H7	1.1039	3.0155	3.1771	2.1573	2.0848	1.8214		3.1376	3.8507	3.8940	3.9976
H8	2.8511	1.1052	2.1930	2.1617	2.7707	3.8507	3.1376		3.0938	2.4647	1.8134
H9	2.8511	2.1930	1.1052	2.7707	2.1617	3.1376	3.8507	3.0938		1.8134	2.4647
H10	3.2672	2.2300	1.0980	3.3370	2.0944	3.9976	3.8940	2.4647	1.8134		2.8163
H11	3.2672	1.0980	2.2300	2.0944	3.3370	3.8940	3.9976	1.8134	2.4647	2.8163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	105.217	C1	O5	C3	105.217
C2	C3	O5	102.357	C2	C3	H9	110.609
C2	C3	H10	114.027	C3	C2	O4	102.357
C3	C2	H8	110.609	C3	C2	H11	114.027
O4	C1	O5	108.439	O4	C1	H6	106.467
O4	C1	H7	112.176	O4	C2	H8	111.812
O4	C2	H11	106.931	O5	C1	H6	112.176
O5	C1	H7	106.467	O5	C3	H9	111.812
O5	C3	H10	106.931	H6	C1	H7	111.169
H8	C2	H11	110.789	H9	C3	H10	110.789

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

using model chemistry: BLYP/3-21G

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	0.064
2	C	-0.164
3	C	-0.164
4	O	-0.431
5	O	-0.431
6	H	0.184
7	H	0.184
8	H	0.183
9	H	0.183
10	H	0.196
11	H	0.196

	x	y	z
x	4.751	-0.030	0.000
y	-0.030	4.722	0.000
z	0.000	0.000	6.553

<r²>	98.173
(<r²>)^1/2	9.908

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

using model chemistry: BLYP/3-21G

States and conformations

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