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	hartrees
Energy at 0K	-268.184569
Energy at 298.15K	-268.192812
Nuclear repulsion energy	191.502119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3025	9.40
2	A	3095	2930	45.76
3	A	3083	2919	51.72
4	A	1588	1503	2.66
5	A	1556	1473	0.03
6	A	1391	1317	3.28
7	A	1264	1197	8.18
8	A	1199	1135	24.08
9	A	1162	1100	1.05
10	A	1104	1045	148.67
11	A	980	928	10.32
12	A	933	883	8.09
13	A	711	673	0.18
14	A	259	245	1.06
15	A	3202	3031	32.56
16	A	3158	2990	53.61
17	A	3092	2927	62.14
18	A	1553	1470	3.31
19	A	1427	1351	0.78
20	A	1367	1294	1.26
21	A	1223	1157	1.38
22	A	1137	1077	14.67
23	A	1046	990	24.91
24	A	933	883	24.74
25	A	875	829	49.29
26	A	644	610	6.90
27	A	79	75	31.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.240
C2	-0.297	0.700	-0.970
C3	0.297	-0.700	-0.970
O4	0.000	1.165	0.381
O5	0.000	-1.165	0.381
H6	0.901	0.044	1.855
H7	-0.901	-0.044	1.855
H8	-1.379	0.679	-1.138
H9	1.379	-0.679	-1.138
H10	-0.177	-1.393	-1.663
H11	0.177	1.393	-1.663

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3369	2.3369	1.4475	1.4475	1.0918	1.0918	2.8310	2.8310	3.2244	3.2244
C2	2.3369		1.5216	1.4588	2.3220	3.1374	2.9828	1.0949	2.1771	2.2084	1.0882
C3	2.3369	1.5216		2.3220	1.4588	2.9828	3.1374	2.1771	1.0949	1.0882	2.2084
O4	1.4475	1.4588	2.3220		2.3300	2.0592	2.1088	2.1078	2.7581	3.2788	2.0637
O5	1.4475	2.3220	1.4588	2.3300		2.1088	2.0592	2.7581	2.1078	2.0637	3.2788
H6	1.0918	3.1374	2.9828	2.0592	2.1088		1.8044	3.8151	3.1153	3.9496	3.8361
H7	1.0918	2.9828	3.1374	2.1088	2.0592	1.8044		3.1153	3.8151	3.8361	3.9496
H8	2.8310	1.0949	2.1771	2.1078	2.7581	3.8151	3.1153		3.0740	2.4525	1.7902
H9	2.8310	2.1771	1.0949	2.7581	2.1078	3.1153	3.8151	3.0740		1.7902	2.4525
H10	3.2244	2.2084	1.0882	3.2788	2.0637	3.9496	3.8361	2.4525	1.7902		2.8084
H11	3.2244	1.0882	2.2084	2.0637	3.2788	3.8361	3.9496	1.7902	2.4525	2.8084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	107.047	C1	O5	C3	107.047
C2	C3	O5	102.338	C2	C3	H9	111.583
C2	C3	H10	114.583	C3	C2	O4	102.338
C3	C2	H8	111.583	C3	C2	H11	114.583
O4	C1	O5	107.187	O4	C1	H6	107.548
O4	C1	H7	111.526	O4	C2	H8	110.446
O4	C2	H11	107.348	O5	C1	H6	111.526
O5	C1	H7	107.548	O5	C3	H9	110.446
O5	C3	H10	107.348	H6	C1	H7	111.457
H8	C2	H11	110.169	H9	C3	H10	110.169

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

using model chemistry: mPW1PW91/6-31G

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	-0.104
3	C	-0.104
4	O	-0.540
5	O	-0.540
6	H	0.182
7	H	0.182
8	H	0.182
9	H	0.182
10	H	0.194
11	H	0.194

	x	y	z
x	4.739	-0.037	0.000
y	-0.037	4.756	0.000
z	0.000	0.000	6.347

<r²>	95.479
(<r²>)^1/2	9.771

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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