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	hartrees
Energy at 0K	-307.652588
Energy at 298.15K	-307.663965
HF Energy	-307.652588
Nuclear repulsion energy	265.831782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3024	31.59
2	A'	3133	2997	27.56
3	A'	3118	2983	29.60
4	A'	3065	2931	20.11
5	A'	2985	2855	116.49
6	A'	2925	2798	89.71
7	A'	1522	1455	6.22
8	A'	1502	1436	0.66
9	A'	1474	1410	7.47
10	A'	1417	1355	16.54
11	A'	1329	1271	7.12
12	A'	1229	1176	148.45
13	A'	1202	1150	58.00
14	A'	1123	1075	9.77
15	A'	1024	979	42.37
16	A'	931	890	13.01
17	A'	859	822	10.84
18	A'	666	637	4.97
19	A'	498	477	0.74
20	A'	443	424	10.84
21	A'	270	259	1.96
22	A"	3131	2994	44.58
23	A"	2978	2848	21.22
24	A"	1507	1441	6.79
25	A"	1446	1383	12.37
26	A"	1392	1332	1.60
27	A"	1371	1311	0.14
28	A"	1341	1282	2.05
29	A"	1263	1208	36.08
30	A"	1238	1184	0.04
31	A"	1106	1058	69.20
32	A"	1048	1003	63.85
33	A"	936	896	22.30
34	A"	911	872	0.13
35	A"	471	451	7.02
36	A"	268	257	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.608	-1.211	0.000
O2	0.014	-0.758	1.162
O3	0.014	-0.758	-1.162
C4	0.014	0.650	1.237
C5	0.014	0.650	-1.237
C6	0.678	1.256	0.000
H7	-0.540	-2.297	0.000
H8	-1.669	-0.891	0.000
H9	0.551	0.922	2.146
H10	-1.016	1.033	1.326
H11	0.551	0.922	-2.146
H12	-1.016	1.033	-1.326
H13	1.737	0.991	0.000
H14	0.583	2.346	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3937	1.3937	2.3197	2.3197	2.7824	1.0880	1.1081	3.2403	2.6377	3.2403	2.6377	3.2176	3.7509
O2	1.3937		2.3235	1.4104	2.7814	2.4184	2.0060	2.0500	2.0200	2.0729	3.7488	3.2337	2.7166	3.3627
O3	1.3937	2.3235		2.7814	1.4104	2.4184	2.0060	2.0500	3.7488	3.2337	2.0200	2.0729	2.7166	3.3627
C4	2.3197	1.4104	2.7814		2.4734	1.5288	3.2437	2.5963	1.0905	1.1029	3.4360	2.7882	2.1482	2.1743
C5	2.3197	2.7814	1.4104	2.4734		1.5288	3.2437	2.5963	3.4360	2.7882	1.0905	1.1029	2.1482	2.1743
C6	2.7824	2.4184	2.4184	1.5288	1.5288		3.7561	3.1816	2.1758	2.1627	2.1758	2.1627	1.0921	1.0935
H7	1.0880	2.0060	2.0060	3.2437	3.2437	3.7561		1.8029	4.0196	3.6152	4.0196	3.6152	3.9999	4.7764
H8	1.1081	2.0500	2.0500	2.5963	2.5963	3.1816	1.8029		3.5812	2.4261	3.5812	2.4261	3.8924	3.9436
H9	3.2403	2.0200	3.7488	1.0905	3.4360	2.1758	4.0196	3.5812		1.7728	4.2924	3.8109	2.4532	2.5758
H10	2.6377	2.0729	3.2337	1.1029	2.7882	2.1627	3.6152	2.4261	1.7728		3.8109	2.6512	3.0564	2.4574
H11	3.2403	3.7488	2.0200	3.4360	1.0905	2.1758	4.0196	3.5812	4.2924	3.8109		1.7728	2.4532	2.5758
H12	2.6377	3.2337	2.0729	2.7882	1.1029	2.1627	3.6152	2.4261	3.8109	2.6512	1.7728		3.0564	2.4574
H13	3.2176	2.7166	2.7166	2.1482	2.1482	1.0921	3.9999	3.8924	2.4532	3.0564	2.4532	3.0564		1.7795
H14	3.7509	3.3627	3.3627	2.1743	2.1743	1.0935	4.7764	3.9436	2.5758	2.4574	2.5758	2.4574	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	111.630	C1	O3	C5	111.630
O2	C1	O3	112.933	O2	C1	H7	107.223
O2	C1	H8	109.525	O2	C4	C6	110.666
O2	C4	H9	107.045	O2	C4	H10	110.532
O3	C1	H7	107.223	O3	C1	H8	109.525
O3	C5	C6	110.666	O3	C5	H11	107.045
O3	C5	H12	110.532	C4	C6	C5	107.985
C4	C6	H13	108.961	C4	C6	H14	110.937
C5	C6	H13	108.961	C5	C6	H14	110.937
C6	C4	H9	111.232	C6	C4	H10	109.466
C6	C5	H11	111.232	C6	C5	H12	109.466
H7	C1	H8	110.361	H9	C4	H10	107.843
H11	C5	H12	107.843	H13	C6	H14	109.016

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

using model chemistry: wB97X-D/6-311G**

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	0.142
2	O	-0.355
3	O	-0.355
4	C	-0.066
5	C	-0.066
6	C	-0.246
7	H	0.131
8	H	0.086
9	H	0.132
10	H	0.103
11	H	0.132
12	H	0.103
13	H	0.136
14	H	0.123

	x	y	z	Total
	-0.715	1.926	0.000	2.054
CHELPG
AIM
ESP

	x	y	z
x	6.912	0.448	0.000
y	0.448	7.714	0.000
z	0.000	0.000	7.290

<r²>	138.545
(<r²>)^1/2	11.771

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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