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	hartrees
Energy at 0K	-306.826222
Energy at 298.15K	-306.837619
Nuclear repulsion energy	264.656295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3040	35.02
2	A'	3150	3014	31.02
3	A'	3141	3005	23.94
4	A'	3083	2949	17.67
5	A'	3017	2886	106.86
6	A'	2973	2844	70.01
7	A'	1523	1457	3.60
8	A'	1506	1441	0.28
9	A'	1472	1408	6.92
10	A'	1431	1369	29.77
11	A'	1332	1274	7.09
12	A'	1239	1185	141.50
13	A'	1214	1161	51.91
14	A'	1128	1079	6.13
15	A'	1029	984	38.98
16	A'	944	903	7.94
17	A'	870	832	10.87
18	A'	662	633	5.12
19	A'	494	472	0.66
20	A'	447	427	11.05
21	A'	269	257	1.62
22	A"	3146	3010	43.41
23	A"	3009	2879	20.22
24	A"	1506	1441	6.63
25	A"	1465	1402	20.86
26	A"	1409	1348	0.76
27	A"	1380	1320	1.07
28	A"	1352	1294	1.19
29	A"	1274	1219	39.72
30	A"	1241	1188	0.04
31	A"	1150	1100	75.72
32	A"	1068	1022	46.99
33	A"	945	904	10.05
34	A"	913	873	0.16
35	A"	470	449	6.31
36	A"	272	260	2.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.626	-1.196	0.000
O2	0.016	-0.765	1.171
O3	0.016	-0.765	-1.171
C4	0.016	0.656	1.242
C5	0.016	0.656	-1.242
C6	0.694	1.244	0.000
H7	-0.597	-2.295	0.000
H8	-1.683	-0.839	0.000
H9	0.545	0.927	2.170
H10	-1.029	1.031	1.317
H11	0.545	0.927	-2.170
H12	-1.029	1.031	-1.317
H13	1.760	0.956	0.000
H14	0.626	2.348	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4031	1.4031	2.3203	2.3203	2.7744	1.0992	1.1158	3.2538	2.6185	3.2538	2.6185	3.2135	3.7583
O2	1.4031		2.3414	1.4227	2.7999	2.4223	2.0214	2.0650	2.0352	2.0832	3.7817	3.2416	2.7157	3.3811
O3	1.4031	2.3414		2.7999	1.4227	2.4223	2.0214	2.0650	3.7817	3.2416	2.0352	2.0832	2.7157	3.3811
C4	2.3203	1.4227	2.7999		2.4838	1.5323	3.2595	2.5816	1.1018	1.1129	3.4629	2.7897	2.1621	2.1855
C5	2.3203	2.7999	1.4227	2.4838		1.5323	3.2595	2.5816	3.4629	2.7897	1.1018	1.1129	2.1621	2.1855
C6	2.7744	2.4223	2.4223	1.5323	1.5323		3.7672	3.1609	2.1976	2.1793	2.1976	2.1793	1.1047	1.1056
H7	1.0992	2.0214	2.0214	3.2595	3.2595	3.7672		1.8165	4.0488	3.6030	4.0488	3.6030	4.0156	4.8008
H8	1.1158	2.0650	2.0650	2.5816	2.5816	3.1609	1.8165		3.5767	2.3790	3.5767	2.3790	3.8835	3.9353
H9	3.2538	2.0352	3.7817	1.1018	3.4629	2.1976	4.0488	3.5767		1.7929	4.3391	3.8271	2.4869	2.5945
H10	2.6185	2.0832	3.2416	1.1129	2.7897	2.1793	3.6030	2.3790	1.7929		3.8271	2.6347	3.0857	2.4914
H11	3.2538	3.7817	2.0352	3.4629	1.1018	2.1976	4.0488	3.5767	4.3391	3.8271		1.7929	2.4869	2.5945
H12	2.6185	3.2416	2.0832	2.7897	1.1129	2.1793	3.6030	2.3790	3.8271	2.6347	1.7929		3.0857	2.4914
H13	3.2135	2.7157	2.7157	2.1621	2.1621	1.1047	4.0156	3.8835	2.4869	3.0857	2.4869	3.0857		1.7958
H14	3.7583	3.3811	3.3811	2.1855	2.1855	1.1056	4.8008	3.9353	2.5945	2.4914	2.5945	2.4914	1.7958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	110.389	C1	O3	C5	110.389
O2	C1	O3	113.097	O2	C1	H7	107.144
O2	C1	H8	109.604	O2	C4	C6	110.060
O2	C4	H9	106.751	O2	C4	H10	109.877
O3	C1	H7	107.144	O3	C1	H8	109.604
O3	C5	C6	110.060	O3	C5	H11	106.751
O3	C5	H12	109.877	C4	C6	C5	108.282
C4	C6	H13	109.073	C4	C6	H14	110.853
C5	C6	H13	109.073	C5	C6	H14	110.853
C6	C4	H9	112.048	C6	C4	H10	109.931
C6	C5	H11	112.048	C6	C5	H12	109.931
H7	C1	H8	110.179	H9	C4	H10	108.100
H11	C5	H12	108.100	H13	C6	H14	108.673

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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