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	hartrees
Energy at 0K	-306.323991
Energy at 298.15K	-306.335022
Nuclear repulsion energy	256.447756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3100	22.14
2	A'	3160	3051	28.89
3	A'	3121	3013	28.74
4	A'	3045	2939	33.57
5	A'	3012	2907	119.86
6	A'	2991	2887	80.18
7	A'	1537	1484	8.28
8	A'	1517	1464	0.75
9	A'	1500	1448	7.22
10	A'	1410	1361	9.72
11	A'	1298	1253	4.29
12	A'	1203	1162	6.45
13	A'	1130	1091	66.21
14	A'	1071	1034	64.50
15	A'	965	932	53.17
16	A'	884	854	1.70
17	A'	785	758	13.78
18	A'	609	588	7.04
19	A'	464	447	1.75
20	A'	402	388	13.99
21	A'	260	251	5.07
22	A"	3157	3048	34.90
23	A"	3007	2903	24.48
24	A"	1523	1470	2.04
25	A"	1431	1381	5.70
26	A"	1401	1352	3.13
27	A"	1385	1337	1.19
28	A"	1293	1248	0.11
29	A"	1244	1201	16.05
30	A"	1201	1159	4.16
31	A"	1056	1019	0.36
32	A"	967	933	80.89
33	A"	909	878	36.69
34	A"	804	776	34.79
35	A"	435	420	12.07
36	A"	243	235	2.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.652	-1.264	0.000
O2	0.013	-0.790	1.224
O3	0.013	-0.790	-1.224
C4	0.013	0.709	1.269
C5	0.013	0.709	-1.269
C6	0.720	1.270	0.000
H7	-0.557	-2.354	0.000
H8	-1.706	-0.915	0.000
H9	0.545	0.960	2.197
H10	-1.037	1.064	1.326
H11	0.545	0.960	-2.197
H12	-1.037	1.064	-1.326
H13	1.773	0.940	0.000
H14	0.689	2.377	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4714	1.4714	2.4383	2.4383	2.8811	1.0939	1.1110	3.3478	2.7067	3.3478	2.7067	3.2769	3.8800
O2	1.4714		2.4475	1.4991	2.9085	2.4973	2.0663	2.1142	2.0718	2.1329	3.8791	3.3227	2.7543	3.4613
O3	1.4714	2.4475		2.9085	1.4991	2.4973	2.0663	2.1142	3.8791	3.3227	2.0718	2.1329	2.7543	3.4613
C4	2.4383	1.4991	2.9085		2.5382	1.5569	3.3639	2.6838	1.0988	1.1105	3.5158	2.8223	2.1820	2.2021
C5	2.4383	2.9085	1.4991	2.5382		1.5569	3.3639	2.6838	3.5158	2.8223	1.0988	1.1105	2.1820	2.2021
C6	2.8811	2.4973	2.4973	1.5569	1.5569		3.8418	3.2643	2.2257	2.2111	2.2257	2.2111	1.1038	1.1079
H7	1.0939	2.0663	2.0663	3.3639	3.3639	3.8418		1.8419	4.1261	3.6972	4.1261	3.6972	4.0346	4.8921
H8	1.1110	2.1142	2.1142	2.6838	2.6838	3.2643	1.8419		3.6620	2.4737	3.6620	2.4737	3.9428	4.0705
H9	3.3478	2.0718	3.8791	1.0988	3.5158	2.2257	4.1261	3.6620		1.8093	4.3944	3.8638	2.5172	2.6183
H10	2.7067	2.1329	3.3227	1.1105	2.8223	2.2111	3.6972	2.4737	1.8093		3.8638	2.6523	3.1103	2.5422
H11	3.3478	3.8791	2.0718	3.5158	1.0988	2.2257	4.1261	3.6620	4.3944	3.8638		1.8093	2.5172	2.6183
H12	2.7067	3.3227	2.1329	2.8223	1.1105	2.2111	3.6972	2.4737	3.8638	2.6523	1.8093		3.1103	2.5422
H13	3.2769	2.7543	2.7543	2.1820	2.1820	1.1038	4.0346	3.9428	2.5172	3.1103	2.5172	3.1103		1.8005
H14	3.8800	3.4613	3.4613	2.2021	2.2021	1.1079	4.8921	4.0705	2.6183	2.5422	2.6183	2.5422	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	110.335	C1	O3	C5	110.335
O2	C1	O3	112.545	O2	C1	H7	106.386
O2	C1	H8	109.120	O2	C4	C6	109.593
O2	C4	H9	104.728	O2	C4	H10	108.719
O3	C1	H7	106.386	O3	C1	H8	109.120
O3	C5	C6	109.593	O3	C5	H11	104.728
O3	C5	H12	108.719	C4	C6	C5	109.197
C4	C6	H13	108.994	C4	C6	H14	110.319
C5	C6	H13	108.994	C5	C6	H14	110.319
C6	C4	H9	112.739	C6	C4	H10	110.863
C6	C5	H11	112.739	C6	C5	H12	110.863
H7	C1	H8	113.313	H9	C4	H10	109.960
H11	C5	H12	109.960	H13	C6	H14	108.989

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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