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	hartrees
Energy at 0K	-306.812973
Energy at 298.15K	-306.824340
Nuclear repulsion energy	264.965387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3051	21.67
2	A'	3213	3017	24.08
3	A'	3198	3004	16.86
4	A'	3128	2938	19.97
5	A'	3070	2884	97.12
6	A'	3029	2844	73.22
7	A'	1559	1464	4.25
8	A'	1545	1451	0.20
9	A'	1513	1421	5.85
10	A'	1440	1352	18.88
11	A'	1341	1260	5.11
12	A'	1229	1154	54.85
13	A'	1205	1132	120.27
14	A'	1130	1062	20.04
15	A'	1019	957	36.49
16	A'	943	886	8.41
17	A'	861	809	16.28
18	A'	655	615	5.37
19	A'	491	461	0.98
20	A'	449	421	10.46
21	A'	275	258	2.58
22	A"	3210	3015	30.46
23	A"	3065	2878	17.43
24	A"	1542	1449	3.14
25	A"	1463	1374	17.40
26	A"	1420	1334	1.05
27	A"	1398	1313	0.08
28	A"	1354	1272	1.98
29	A"	1281	1203	29.51
30	A"	1250	1174	0.76
31	A"	1111	1044	47.48
32	A"	1053	989	90.76
33	A"	932	875	21.28
34	A"	914	859	12.06
35	A"	459	432	7.86
36	A"	273	257	2.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.630	-1.202	0.000
O2	0.017	-0.766	1.175
O3	0.017	-0.766	-1.175
C4	0.017	0.665	1.236
C5	0.017	0.665	-1.236
C6	0.691	1.238	0.000
H7	-0.592	-2.286	0.000
H8	-1.669	-0.838	0.000
H9	0.540	0.927	2.153
H10	-1.018	1.024	1.307
H11	0.540	0.927	-2.153
H12	-1.018	1.024	-1.307
H13	1.743	0.954	0.000
H14	0.625	2.328	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4106	1.4106	2.3311	2.3311	2.7754	1.0841	1.1010	3.2461	2.6107	3.2461	2.6107	3.2064	3.7474
O2	1.4106		2.3499	1.4322	2.8039	2.4190	2.0153	2.0564	2.0237	2.0719	3.7700	3.2304	2.7050	3.3653
O3	1.4106	2.3499		2.8039	1.4322	2.4190	2.0153	2.0564	3.7700	3.2304	2.0237	2.0719	2.7050	3.3653
C4	2.3311	1.4322	2.8039		2.4727	1.5205	3.2567	2.5750	1.0870	1.0979	3.4392	2.7693	2.1427	2.1600
C5	2.3311	2.8039	1.4322	2.4727		1.5205	3.2567	2.5750	3.4392	2.7693	1.0870	1.0979	2.1427	2.1600
C6	2.7754	2.4190	2.4190	1.5205	1.5205		3.7504	3.1436	2.1805	2.1624	2.1805	2.1624	1.0896	1.0922
H7	1.0841	2.0153	2.0153	3.2567	3.2567	3.7504		1.8045	4.0295	3.5840	4.0295	3.5840	3.9934	4.7721
H8	1.1010	2.0564	2.0564	2.5750	2.5750	3.1436	1.8045		3.5535	2.3663	3.5535	2.3663	3.8540	3.9103
H9	3.2461	2.0237	3.7700	1.0870	3.4392	2.1805	4.0295	3.5535		1.7749	4.3057	3.7954	2.4666	2.5702
H10	2.6107	2.0719	3.2304	1.0979	2.7693	2.1624	3.5840	2.3663	1.7749		3.7954	2.6140	3.0556	2.4718
H11	3.2461	3.7700	2.0237	3.4392	1.0870	2.1805	4.0295	3.5535	4.3057	3.7954		1.7749	2.4666	2.5702
H12	2.6107	3.2304	2.0719	2.7693	1.0979	2.1624	3.5840	2.3663	3.7954	2.6140	1.7749		3.0556	2.4718
H13	3.2064	2.7050	2.7050	2.1427	2.1427	1.0896	3.9934	3.8540	2.4666	3.0556	2.4666	3.0556		1.7718
H14	3.7474	3.3653	3.3653	2.1600	2.1600	1.0922	4.7721	3.9103	2.5702	2.4718	2.5702	2.4718	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	110.170	C1	O3	C5	110.170
O2	C1	O3	112.799	O2	C1	H7	107.040
O2	C1	H8	109.304	O2	C4	C6	109.991
O2	C4	H9	106.086	O2	C4	H10	109.243
O3	C1	H7	107.040	O3	C1	H8	109.304
O3	C5	C6	109.991	O3	C5	H11	106.086
O3	C5	H12	109.243	C4	C6	C5	108.807
C4	C6	H13	109.243	C4	C6	H14	110.463
C5	C6	H13	109.243	C5	C6	H14	110.463
C6	C4	H9	112.432	C6	C4	H10	110.306
C6	C5	H11	112.432	C6	C5	H12	110.306
H7	C1	H8	111.345	H9	C4	H10	108.657
H11	C5	H12	108.657	H13	C6	H14	108.600

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

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

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