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	hartrees
Energy at 0K	-306.226525
Energy at 298.15K	-306.237845
Nuclear repulsion energy	261.031496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3065	22.27
2	A'	3226	3017	21.96
3	A'	3189	2983	26.25
4	A'	3132	2929	20.50
5	A'	3091	2891	103.96
6	A'	3067	2869	49.44
7	A'	1615	1510	7.49
8	A'	1598	1495	0.28
9	A'	1578	1476	4.93
10	A'	1476	1380	16.55
11	A'	1362	1274	3.23
12	A'	1257	1175	15.92
13	A'	1210	1132	138.08
14	A'	1144	1070	28.08
15	A'	1032	965	54.69
16	A'	935	875	3.13
17	A'	859	803	16.16
18	A'	661	619	9.12
19	A'	498	466	1.32
20	A'	409	383	17.64
21	A'	264	247	4.61
22	A"	3223	3014	32.52
23	A"	3083	2883	17.94
24	A"	1598	1495	1.88
25	A"	1500	1402	7.57
26	A"	1466	1371	2.47
27	A"	1447	1353	1.43
28	A"	1362	1274	0.86
29	A"	1315	1230	20.88
30	A"	1271	1189	6.05
31	A"	1121	1048	23.93
32	A"	1072	1002	85.13
33	A"	959	897	13.54
34	A"	896	838	15.01
35	A"	466	436	12.50
36	A"	248	232	3.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.616	-1.265	0.000
O2	0.011	-0.767	1.191
O3	0.011	-0.767	-1.191
C4	0.011	0.691	1.255
C5	0.011	0.691	-1.255
C6	0.687	1.263	0.000
H7	-0.489	-2.341	0.000
H8	-1.679	-0.986	0.000
H9	0.546	0.945	2.168
H10	-1.024	1.050	1.336
H11	0.546	0.945	-2.168
H12	-1.024	1.050	-1.336
H13	1.740	0.972	0.000
H14	0.634	2.357	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4354	1.4354	2.4077	2.4077	2.8446	1.0830	1.0992	3.3065	2.7039	3.3065	2.7039	3.2487	3.8315
O2	1.4354		2.3824	1.4601	2.8479	2.4492	2.0361	2.0792	2.0421	2.0963	3.8077	3.2801	2.7260	3.4007
O3	1.4354	2.3824		2.8479	1.4601	2.4492	2.0361	2.0792	3.8077	3.2801	2.0421	2.0963	2.7260	3.4007
C4	2.4077	1.4601	2.8479		2.5094	1.5356	3.3196	2.6913	1.0877	1.0985	3.4731	2.8126	2.1544	2.1758
C5	2.4077	2.8479	1.4601	2.5094		1.5356	3.3196	2.6913	3.4731	2.8126	1.0877	1.0985	2.1544	2.1758
C6	2.8446	2.4492	2.4492	1.5356	1.5356		3.7912	3.2641	2.1955	2.1812	2.1955	2.1812	1.0925	1.0948
H7	1.0830	2.0361	2.0361	3.3196	3.3196	3.7912		1.8037	4.0700	3.6835	4.0700	3.6835	3.9925	4.8298
H8	1.0992	2.0792	2.0792	2.6913	2.6913	3.2641	1.8037		3.6569	2.5211	3.6569	2.5211	3.9393	4.0641
H9	3.3065	2.0421	3.8077	1.0877	3.4731	2.1955	4.0700	3.6569		1.7794	4.3354	3.8404	2.4752	2.5884
H10	2.7039	2.0963	3.2801	1.0985	2.8126	2.1812	3.6835	2.5211	1.7794		3.8404	2.6716	3.0708	2.4978
H11	3.3065	3.8077	2.0421	3.4731	1.0877	2.1955	4.0700	3.6569	4.3354	3.8404		1.7794	2.4752	2.5884
H12	2.7039	3.2801	2.0963	2.8126	1.0985	2.1812	3.6835	2.5211	3.8404	2.6716	1.7794		3.0708	2.4978
H13	3.2487	2.7260	2.7260	2.1544	2.1544	1.0925	3.9925	3.9393	2.4752	3.0708	2.4752	3.0708		1.7728
H14	3.8315	3.4007	3.4007	2.1758	2.1758	1.0948	4.8298	4.0641	2.5884	2.4978	2.5884	2.4978	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	112.510	C1	O3	C5	112.510
O2	C1	O3	112.169	O2	C1	H7	107.062
O2	C1	H8	109.520	O2	C4	C6	109.659
O2	C4	H9	105.619	O2	C4	H10	109.216
O3	C1	H7	107.062	O3	C1	H8	109.520
O3	C5	C6	109.659	O3	C5	H11	105.619
O3	C5	H12	109.216	C4	C6	C5	109.591
C4	C6	H13	108.952	C4	C6	H14	110.505
C5	C6	H13	108.952	C5	C6	H14	110.505
C6	C4	H9	112.515	C6	C4	H10	110.710
C6	C5	H11	112.515	C6	C5	H12	110.710
H7	C1	H8	111.489	H9	C4	H10	108.960
H11	C5	H12	108.960	H13	C6	H14	108.295

All results from a given calculation for C₄H₈O₂ (1,3-Dioxane)

using model chemistry: CID/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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All results from a given calculation for C4H8O2 (1,3-Dioxane)

using model chemistry: CID/6-31G

States and conformations

All results from a given calculation for C₄H₈O₂ (1,3-Dioxane)