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	hartrees
Energy at 0K	-306.079377
Energy at 298.15K	-306.090633
Nuclear repulsion energy	266.952843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3062	3005	23.97
2	A'	3060	3003	14.04
3	A'	3047	2990	17.32
4	A'	2999	2943	11.06
5	A'	2881	2827	89.29
6	A'	2807	2754	82.67
7	A'	1439	1412	10.38
8	A'	1425	1399	2.91
9	A'	1401	1374	9.73
10	A'	1360	1335	18.04
11	A'	1281	1257	5.13
12	A'	1205	1182	176.64
13	A'	1160	1138	11.18
14	A'	1087	1067	2.49
15	A'	1013	994	40.73
16	A'	924	907	8.59
17	A'	854	839	7.10
18	A'	633	622	5.43
19	A'	475	466	0.57
20	A'	453	445	8.79
21	A'	274	269	2.05
22	A"	3047	2990	31.89
23	A"	2872	2818	15.20
24	A"	1430	1403	14.83
25	A"	1387	1361	5.71
26	A"	1339	1314	2.58
27	A"	1316	1291	0.26
28	A"	1292	1268	2.65
29	A"	1224	1201	32.27
30	A"	1190	1168	0.05
31	A"	1098	1078	63.13
32	A"	1034	1014	62.23
33	A"	927	909	14.24
34	A"	873	857	1.17
35	A"	457	448	6.92
36	A"	277	272	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.619	-1.181	0.000
O2	0.017	-0.759	1.164
O3	0.017	-0.759	-1.164
C4	0.017	0.649	1.223
C5	0.017	0.649	-1.223
C6	0.694	1.226	0.000
H7	-0.610	-2.283	0.000
H8	-1.675	-0.798	0.000
H9	0.522	0.935	2.161
H10	-1.036	1.020	1.271
H11	0.522	0.935	-2.161
H12	-1.036	1.020	-1.271
H13	1.758	0.932	0.000
H14	0.638	2.329	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3918	1.3918	2.2911	2.2911	2.7418	1.1016	1.1236	3.2322	2.5756	3.2322	2.5756	3.1803	3.7285
O2	1.3918		2.3280	1.4090	2.7716	2.3987	2.0171	2.0542	2.0291	2.0697	3.7652	3.1942	2.6919	3.3583
O3	1.3918	2.3280		2.7716	1.4090	2.3987	2.0171	2.0542	3.7652	3.1942	2.0291	2.0697	2.6919	3.3583
C4	2.2911	1.4090	2.7716		2.4469	1.5128	3.2376	2.5405	1.1025	1.1170	3.4334	2.7330	2.1467	2.1694
C5	2.2911	2.7716	1.4090	2.4469		1.5128	3.2376	2.5405	3.4334	2.7330	1.1025	1.1170	2.1467	2.1694
C6	2.7418	2.3987	2.3987	1.5128	1.5128		3.7430	3.1163	2.1868	2.1564	2.1868	2.1564	1.1039	1.1046
H7	1.1016	2.0171	2.0171	3.2376	3.2376	3.7430		1.8273	4.0374	3.5643	4.0374	3.5643	3.9924	4.7776
H8	1.1236	2.0542	2.0542	2.5405	2.5405	3.1163	1.8273		3.5357	2.3089	3.5357	2.3089	3.8447	3.8900
H9	3.2322	2.0291	3.7652	1.1025	3.4334	2.1868	4.0374	3.5357		1.7960	4.3210	3.7699	2.4889	2.5741
H10	2.5756	2.0697	3.1942	1.1170	2.7330	2.1564	3.5643	2.3089	1.7960		3.7699	2.5426	3.0705	2.4762
H11	3.2322	3.7652	2.0291	3.4334	1.1025	2.1868	4.0374	3.5357	4.3210	3.7699		1.7960	2.4889	2.5741
H12	2.5756	3.1942	2.0697	2.7330	1.1170	2.1564	3.5643	2.3089	3.7699	2.5426	1.7960		3.0705	2.4762
H13	3.1803	2.6919	2.6919	2.1467	2.1467	1.1039	3.9924	3.8447	2.4889	3.0705	2.4889	3.0705		1.7907
H14	3.7285	3.3583	3.3583	2.1694	2.1694	1.1046	4.7776	3.8900	2.5741	2.4762	2.5741	2.4762	1.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	109.768	C1	O3	C5	109.768
O2	C1	O3	113.507	O2	C1	H7	107.419
O2	C1	H8	109.035	O2	C4	C6	110.316
O2	C4	H9	107.157	O2	C4	H10	109.493
O3	C1	H7	107.419	O3	C1	H8	109.035
O3	C5	C6	110.316	O3	C5	H11	107.157
O3	C5	H12	109.493	C4	C6	C5	107.945
C4	C6	H13	109.252	C4	C6	H14	111.006
C5	C6	H13	109.252	C5	C6	H14	111.006
C6	C4	H9	112.531	C6	C4	H10	109.243
C6	C5	H11	112.531	C6	C5	H12	109.243
H7	C1	H8	110.399	H9	C4	H10	108.029
H11	C5	H12	108.029	H13	C6	H14	108.353

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

using model chemistry: LSDA/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	0.121
2	O	-0.382
3	O	-0.382
4	C	-0.066
5	C	-0.066
6	C	-0.269
7	H	0.148
8	H	0.093
9	H	0.146
10	H	0.111
11	H	0.146
12	H	0.111
13	H	0.157
14	H	0.132

	x	y	z	Total
	-0.512	1.763	0.000	1.836
CHELPG
AIM
ESP

	x	y	z
x	6.806	0.480	0.000
y	0.480	7.761	0.000
z	0.000	0.000	7.227

<r²>	137.129
(<r²>)^1/2	11.710

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

using model chemistry: LSDA/6-31G**

States and conformations

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