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	hartrees
Energy at 0K	-58.363876
Energy at 298.15K	-58.374890
Nuclear repulsion energy	142.980763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3109	31.33
2	A'	3165	3059	51.93
3	A'	3137	3031	34.50
4	A'	3053	2950	49.76
5	A'	3023	2921	140.90
6	A'	3002	2901	98.53
7	A'	1529	1477	8.48
8	A'	1512	1461	0.69
9	A'	1493	1443	6.56
10	A'	1402	1355	13.57
11	A'	1292	1248	3.77
12	A'	1192	1152	8.09
13	A'	1126	1088	70.45
14	A'	1069	1033	61.14
15	A'	962	929	47.91
16	A'	887	857	1.76
17	A'	786	760	13.56
18	A'	605	584	7.77
19	A'	461	446	1.66
20	A'	400	386	13.89
21	A'	253	244	4.64
22	A"	3161	3054	42.67
23	A"	3018	2917	33.03
24	A"	1517	1466	1.04
25	A"	1427	1379	8.99
26	A"	1398	1351	1.07
27	A"	1377	1331	2.21
28	A"	1286	1243	0.30
29	A"	1245	1203	14.79
30	A"	1198	1157	5.35
31	A"	1057	1021	0.92
32	A"	976	943	95.86
33	A"	904	874	24.91
34	A"	812	784	30.29
35	A"	432	417	11.78
36	A"	242	234	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.656	-1.266	0.000
O2	0.015	-0.795	1.228
O3	0.015	-0.795	-1.228
C4	0.015	0.709	1.279
C5	0.015	0.709	-1.279
C6	0.720	1.280	0.000
H7	-0.572	-2.362	0.000
H8	-1.712	-0.903	0.000
H9	0.555	0.959	2.210
H10	-1.042	1.063	1.344
H11	0.555	0.959	-2.210
H12	-1.042	1.063	-1.344
H13	1.783	0.963	0.000
H14	0.672	2.393	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4763	1.4763	2.4470	2.4470	2.8937	1.0990	1.1168	3.3618	2.7166	3.3618	2.7166	3.3040	3.8929
O2	1.4763		2.4557	1.5044	2.9236	2.5115	2.0757	2.1214	2.0814	2.1403	3.8969	3.3437	2.7792	3.4789
O3	1.4763	2.4557		2.9236	1.5044	2.5115	2.0757	2.1214	3.8969	3.3437	2.0814	2.1403	2.7792	3.4789
C4	2.4470	1.5044	2.9236		2.5589	1.5683	3.3781	2.6864	1.1047	1.1162	3.5398	2.8500	2.1972	2.2150
C5	2.4470	2.9236	1.5044	2.5589		1.5683	3.3781	2.6864	3.5398	2.8500	1.1047	1.1162	2.1972	2.2150
C6	2.8937	2.5115	2.5115	1.5683	1.5683		3.8640	3.2675	2.2391	2.2260	2.2391	2.2260	1.1095	1.1145
H7	1.0990	2.0757	2.0757	3.3781	3.3781	3.8640		1.8514	4.1453	3.7091	4.1453	3.7091	4.0745	4.9153
H8	1.1168	2.1214	2.1214	2.6864	2.6864	3.2675	1.8514		3.6730	2.4739	3.6730	2.4739	3.9618	4.0680
H9	3.3618	2.0814	3.8969	1.1047	3.5398	2.2391	4.1453	3.6730		1.8198	4.4198	3.8974	2.5280	2.6371
H10	2.7166	2.1403	3.3437	1.1162	2.8500	2.2260	3.7091	2.4739	1.8198		3.8974	2.6874	3.1296	2.5520
H11	3.3618	3.8969	2.0814	3.5398	1.1047	2.2391	4.1453	3.6730	4.4198	3.8974		1.8198	2.5280	2.6371
H12	2.7166	3.3437	2.1403	2.8500	1.1162	2.2260	3.7091	2.4739	3.8974	2.6874	1.8198		3.1296	2.5520
H13	3.3040	2.7792	2.7792	2.1972	2.1972	1.1095	4.0745	3.9618	2.5280	3.1296	2.5280	3.1296		1.8109
H14	3.8929	3.4789	3.4789	2.2150	2.2150	1.1145	4.9153	4.0680	2.6371	2.5520	2.6371	2.5520	1.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	110.351	C1	O3	C5	110.351
O2	C1	O3	112.550	O2	C1	H7	106.491
O2	C1	H8	109.002	O2	C4	C6	109.625
O2	C4	H9	104.786	O2	C4	H10	108.602
O3	C1	H7	106.491	O3	C1	H8	109.002
O3	C5	C6	109.625	O3	C5	H11	104.786
O3	C5	H12	108.602	C4	C6	C5	109.336
C4	C6	H13	109.073	C4	C6	H14	110.154
C5	C6	H13	109.073	C5	C6	H14	110.154
C6	C4	H9	112.636	C6	C4	H10	110.906
C6	C5	H11	112.636	C6	C5	H12	110.906
H7	C1	H8	113.347	H9	C4	H10	110.045
H11	C5	H12	110.045	H13	C6	H14	109.027

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

using model chemistry: MP2/CEP-31G

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-31G

States and conformations

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