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	hartrees
Energy at 0K	-306.945502
Energy at 298.15K	-306.956879
Nuclear repulsion energy	266.081722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3018	25.49
2	A'	3187	3010	16.52
3	A'	3174	2998	15.81
4	A'	3115	2942	12.05
5	A'	3048	2879	70.11
6	A'	2995	2829	61.22
7	A'	1542	1456	5.75
8	A'	1525	1440	0.20
9	A'	1488	1405	4.61
10	A'	1429	1350	16.78
11	A'	1341	1266	5.24
12	A'	1231	1163	85.45
13	A'	1207	1140	88.38
14	A'	1132	1069	12.17
15	A'	1026	969	31.98
16	A'	942	890	8.01
17	A'	867	819	9.08
18	A'	651	615	4.37
19	A'	487	460	1.24
20	A'	455	430	9.00
21	A'	271	256	1.83
22	A"	3175	2999	28.75
23	A"	3042	2873	16.46
24	A"	1525	1440	3.71
25	A"	1464	1382	11.18
26	A"	1404	1326	1.65
27	A"	1384	1307	0.22
28	A"	1357	1281	1.33
29	A"	1275	1204	32.83
30	A"	1247	1178	0.00
31	A"	1118	1056	60.97
32	A"	1058	999	59.80
33	A"	939	887	16.59
34	A"	913	863	0.01
35	A"	462	436	6.34
36	A"	276	261	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.632	-1.182	0.000
O2	0.016	-0.764	1.168
O3	0.016	-0.764	-1.168
C4	0.016	0.654	1.233
C5	0.016	0.654	-1.233
C6	0.700	1.233	0.000
H7	-0.618	-2.271	0.000
H8	-1.671	-0.806	0.000
H9	0.533	0.923	2.154
H10	-1.019	1.023	1.295
H11	0.533	0.923	-2.154
H12	-1.019	1.023	-1.295
H13	1.751	0.938	0.000
H14	0.640	2.324	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3998	1.3998	2.3049	2.3049	2.7579	1.0886	1.1046	3.2298	2.5867	3.2298	2.5867	3.1897	3.7304
O2	1.3998		2.3359	1.4200	2.7885	2.4123	2.0089	2.0523	2.0218	2.0696	3.7619	3.2145	2.6964	3.3606
O3	1.3998	2.3359		2.7885	1.4200	2.4123	2.0089	2.0523	3.7619	3.2145	2.0218	2.0696	2.6964	3.3606
C4	2.3049	1.4200	2.7885		2.4656	1.5237	3.2368	2.5490	1.0902	1.1006	3.4368	2.7562	2.1470	2.1677
C5	2.3049	2.7885	1.4200	2.4656		1.5237	3.2368	2.5490	3.4368	2.7562	1.0902	1.1006	2.1470	2.1677
C6	2.7579	2.4123	2.4123	1.5237	1.5237		3.7431	3.1266	2.1828	2.1620	2.1828	2.1620	1.0917	1.0934
H7	1.0886	2.0089	2.0089	3.2368	3.2368	3.7431		1.8038	4.0208	3.5620	4.0208	3.5620	3.9884	4.7643
H8	1.1046	2.0523	2.0523	2.5490	2.5490	3.1266	1.8038		3.5337	2.3341	3.5337	2.3341	3.8404	3.8909
H9	3.2298	2.0218	3.7619	1.0902	3.4368	2.1828	4.0208	3.5337		1.7765	4.3086	3.7834	2.4749	2.5721
H10	2.5867	2.0696	3.2145	1.1006	2.7562	2.1620	3.5620	2.3341	1.7765		3.7834	2.5897	3.0586	2.4741
H11	3.2298	3.7619	2.0218	3.4368	1.0902	2.1828	4.0208	3.5337	4.3086	3.7834		1.7765	2.4749	2.5721
H12	2.5867	3.2145	2.0696	2.7562	1.1006	2.1620	3.5620	2.3341	3.7834	2.5897	1.7765		3.0586	2.4741
H13	3.1897	2.6964	2.6964	2.1470	2.1470	1.0917	3.9884	3.8404	2.4749	3.0586	2.4749	3.0586		1.7767
H14	3.7304	3.3606	3.3606	2.1677	2.1677	1.0934	4.7643	3.8909	2.5721	2.4741	2.5721	2.4741	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	109.652	C1	O3	C5	109.652
O2	C1	O3	113.106	O2	C1	H7	107.011
O2	C1	H8	109.504	O2	C4	C6	110.018
O2	C4	H9	106.568	O2	C4	H10	109.739
O3	C1	H7	107.011	O3	C1	H8	109.504
O3	C5	C6	110.018	O3	C5	H11	106.568
O3	C5	H12	109.739	C4	C6	C5	108.007
C4	C6	H13	109.234	C4	C6	H14	110.768
C5	C6	H13	109.234	C5	C6	H14	110.768
C6	C4	H9	112.182	C6	C4	H10	109.887
C6	C5	H11	112.182	C6	C5	H12	109.887
H7	C1	H8	110.658	H9	C4	H10	108.369
H11	C5	H12	108.369	H13	C6	H14	108.802

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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