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	hartrees
Energy at 0K	-58.438407
Energy at 298.15K	-58.449449
Nuclear repulsion energy	143.664350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3094	22.86
2	A'	3112	3038	31.46
3	A'	3073	2999	30.20
4	A'	2991	2919	33.80
5	A'	2957	2886	122.26
6	A'	2934	2864	62.57
7	A'	1526	1489	7.74
8	A'	1504	1468	0.31
9	A'	1490	1455	6.04
10	A'	1406	1373	15.84
11	A'	1284	1253	2.61
12	A'	1199	1170	7.43
13	A'	1123	1096	84.21
14	A'	1065	1039	48.91
15	A'	956	933	51.63
16	A'	883	861	2.38
17	A'	785	766	17.24
18	A'	602	587	7.28
19	A'	448	437	1.11
20	A'	391	381	13.12
21	A'	257	251	4.12
22	A"	3109	3035	39.67
23	A"	2950	2880	21.03
24	A"	1509	1472	1.66
25	A"	1428	1394	9.68
26	A"	1391	1358	1.65
27	A"	1378	1345	1.04
28	A"	1284	1253	0.15
29	A"	1227	1197	14.59
30	A"	1189	1161	4.66
31	A"	1049	1024	1.49
32	A"	965	941	98.74
33	A"	891	870	24.06
34	A"	809	789	31.76
35	A"	427	417	11.46
36	A"	243	237	2.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.657	-1.260	0.000
O2	0.014	-0.791	1.223
O3	0.014	-0.791	-1.223
C4	0.014	0.709	1.271
C5	0.014	0.709	-1.271
C6	0.723	1.268	0.000
H7	-0.578	-2.349	0.000
H8	-1.707	-0.897	0.000
H9	0.543	0.960	2.199
H10	-1.036	1.062	1.328
H11	0.543	0.960	-2.199
H12	-1.036	1.062	-1.328
H13	1.771	0.927	0.000
H14	0.704	2.374	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4724	1.4724	2.4381	2.4381	2.8804	1.0919	1.1106	3.3470	2.7013	3.3470	2.7013	3.2680	3.8805
O2	1.4724		2.4465	1.5006	2.9103	2.4973	2.0678	2.1145	2.0723	2.1322	3.8797	3.3229	2.7444	3.4619
O3	1.4724	2.4465		2.9103	1.5006	2.4973	2.0678	2.1145	3.8797	3.3229	2.0723	2.1322	2.7444	3.4619
C4	2.4381	1.5006	2.9103		2.5417	1.5587	3.3643	2.6754	1.0969	1.1096	3.5184	2.8248	2.1789	2.2049
C5	2.4381	2.9103	1.5006	2.5417		1.5587	3.3643	2.6754	3.5184	2.8248	1.0969	1.1096	2.1789	2.2049
C6	2.8804	2.4973	2.4973	1.5587	1.5587		3.8439	3.2545	2.2274	2.2135	2.2274	2.2135	1.1019	1.1059
H7	1.0919	2.0678	2.0678	3.3643	3.3643	3.8439		1.8394	4.1277	3.6887	4.1277	3.6887	4.0310	4.8937
H8	1.1106	2.1145	2.1145	2.6754	2.6754	3.2545	1.8394		3.6530	2.4595	3.6530	2.4595	3.9272	4.0633
H9	3.3470	2.0723	3.8797	1.0969	3.5184	2.2274	4.1277	3.6530		1.8065	4.3972	3.8651	2.5183	2.6190
H10	2.7013	2.1322	3.3229	1.1096	2.8248	2.2135	3.6887	2.4595	1.8065		3.8651	2.6551	3.1080	2.5518
H11	3.3470	3.8797	2.0723	3.5184	1.0969	2.2274	4.1277	3.6530	4.3972	3.8651		1.8065	2.5183	2.6190
H12	2.7013	3.3229	2.1322	2.8248	1.1096	2.2135	3.6887	2.4595	3.8651	2.6551	1.8065		3.1080	2.5518
H13	3.2680	2.7444	2.7444	2.1789	2.1789	1.1019	4.0310	3.9272	2.5183	3.1080	2.5183	3.1080		1.7975
H14	3.8805	3.4619	3.4619	2.2049	2.2049	1.1059	4.8937	4.0633	2.6190	2.5518	2.6190	2.5518	1.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	110.181	C1	O3	C5	110.181
O2	C1	O3	112.354	O2	C1	H7	106.542
O2	C1	H8	109.086	O2	C4	C6	109.419
O2	C4	H9	104.776	O2	C4	H10	108.622
O3	C1	H7	106.542	O3	C1	H8	109.086
O3	C5	C6	109.419	O3	C5	H11	104.776
O3	C5	H12	108.622	C4	C6	C5	109.242
C4	C6	H13	108.746	C4	C6	H14	110.530
C5	C6	H13	108.746	C5	C6	H14	110.530
C6	C4	H9	112.865	C6	C4	H10	110.987
C6	C5	H11	112.865	C6	C5	H12	110.987
H7	C1	H8	113.261	H9	C4	H10	109.918
H11	C5	H12	109.918	H13	C6	H14	109.003

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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