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	hartrees
Energy at 0K	-307.162596
Energy at 298.15K	-307.174595
Nuclear repulsion energy	267.219876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3325	50.19
2	A'	3285	3285	42.29
3	A'	3256	3256	46.37
4	A'	3207	3207	25.57
5	A'	3164	3164	146.88
6	A'	3135	3135	51.89
7	A'	1671	1671	3.70
8	A'	1650	1650	0.78
9	A'	1611	1611	4.64
10	A'	1552	1552	36.30
11	A'	1441	1441	9.25
12	A'	1343	1343	192.24
13	A'	1307	1307	72.91
14	A'	1220	1220	19.24
15	A'	1099	1099	47.35
16	A'	993	993	16.35
17	A'	914	914	11.86
18	A'	715	715	6.51
19	A'	532	532	0.54
20	A'	449	449	13.73
21	A'	272	272	2.37
22	A"	3282	3282	60.88
23	A"	3153	3153	25.34
24	A"	1648	1648	3.31
25	A"	1593	1593	28.67
26	A"	1526	1526	1.13
27	A"	1497	1497	1.26
28	A"	1465	1465	1.62
29	A"	1380	1380	50.02
30	A"	1344	1344	0.58
31	A"	1225	1225	106.60
32	A"	1124	1124	44.64
33	A"	1003	1003	13.44
34	A"	972	972	0.00
35	A"	498	498	8.22
36	A"	274	274	2.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.599	-1.215	0.000
O2	0.013	-0.750	1.151
O3	0.013	-0.750	-1.151
C4	0.013	0.651	1.239
C5	0.013	0.651	-1.239
C6	0.671	1.253	0.000
H7	-0.514	-2.292	0.000
H8	-1.654	-0.922	0.000
H9	0.547	0.907	2.147
H10	-1.014	1.012	1.338
H11	0.547	0.907	-2.147
H12	-1.014	1.012	-1.338
H13	1.729	1.003	0.000
H14	0.575	2.337	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3836	1.3836	2.3221	2.3221	2.7749	1.0808	1.0951	3.2288	2.6310	3.2288	2.6310	3.2152	3.7409
O2	1.3836		2.3013	1.4039	2.7705	2.4015	1.9951	2.0329	2.0059	2.0484	3.7291	3.2175	2.7095	3.3423
O3	1.3836	2.3013		2.7705	1.4039	2.4015	1.9951	2.0329	3.7291	3.2175	2.0059	2.0484	2.7095	3.3423
C4	2.3221	1.4039	2.7705		2.4789	1.5266	3.2369	2.6057	1.0839	1.0934	3.4380	2.7976	2.1459	2.1667
C5	2.3221	2.7705	1.4039	2.4789		1.5266	3.2369	2.6057	3.4380	2.7976	1.0839	1.0934	2.1459	2.1667
C6	2.7749	2.4015	2.4015	1.5266	1.5266		3.7377	3.1832	2.1783	2.1647	2.1783	2.1647	1.0876	1.0889
H7	1.0808	1.9951	1.9951	3.2369	3.2369	3.7377		1.7826	3.9964	3.6000	3.9964	3.6000	3.9861	4.7559
H8	1.0951	2.0329	2.0329	2.6057	2.6057	3.1832	1.7826		3.5778	2.4371	3.5778	2.4371	3.8923	3.9483
H9	3.2288	2.0059	3.7291	1.0839	3.4380	2.1783	3.9964	3.5778		1.7622	4.2943	3.8201	2.4527	2.5802
H10	2.6310	2.0484	3.2175	1.0934	2.7976	2.1647	3.6000	2.4371	1.7622		3.8201	2.6751	3.0521	2.4636
H11	3.2288	3.7291	2.0059	3.4380	1.0839	2.1783	3.9964	3.5778	4.2943	3.8201		1.7622	2.4527	2.5802
H12	2.6310	3.2175	2.0484	2.7976	1.0934	2.1647	3.6000	2.4371	3.8201	2.6751	1.7622		3.0521	2.4636
H13	3.2152	2.7095	2.7095	2.1459	2.1459	1.0876	3.9861	3.8923	2.4527	3.0521	2.4527	3.0521		1.7646
H14	3.7409	3.3423	3.3423	2.1667	2.1667	1.0889	4.7559	3.9483	2.5802	2.4636	2.5802	2.4636	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	112.823	C1	O3	C5	112.823
O2	C1	O3	112.534	O2	C1	H7	107.471
O2	C1	H8	109.645	O2	C4	C6	109.997
O2	C4	H9	106.763	O2	C4	H10	109.593
O3	C1	H7	107.471	O3	C1	H8	109.645
O3	C5	C6	109.997	O3	C5	H11	106.763
O3	C5	H12	109.593	C4	C6	C5	108.563
C4	C6	H13	109.188	C4	C6	H14	110.766
C5	C6	H13	109.188	C5	C6	H14	110.766
C6	C4	H9	112.001	C6	C4	H10	110.326
C6	C5	H11	112.001	C6	C5	H12	110.326
H7	C1	H8	110.018	H9	C4	H10	108.065
H11	C5	H12	108.065	H13	C6	H14	108.342

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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