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	hartrees
Energy at 0K	-306.316833
Energy at 298.15K	-306.327780
HF Energy	-305.730863
Nuclear repulsion energy	255.969804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3142	3033	0.00
2	A_g	3033	2928	0.00
3	A_g	1517	1465	0.00
4	A_g	1409	1360	0.00
5	A_g	1298	1253	0.00
6	A_g	1152	1112	0.00
7	A_g	1003	968	0.00
8	A_g	776	749	0.00
9	A_g	412	398	0.00
10	A_g	390	377	0.00
11	A_u	3140	3031	72.81
12	A_u	3031	2926	69.56
13	A_u	1508	1456	1.45
14	A_u	1384	1336	13.03
15	A_u	1252	1209	26.39
16	A_u	1111	1072	25.54
17	A_u	1071	1034	81.52
18	A_u	872	842	30.93
19	A_u	233	225	2.89
20	B_g	3145	3035	0.00
21	B_g	3035	2929	0.00
22	B_g	1506	1453	0.00
23	B_g	1368	1320	0.00
24	B_g	1200	1159	0.00
25	B_g	1067	1030	0.00
26	B_g	847	818	0.00
27	B_g	461	445	0.00
28	B_u	3146	3037	66.31
29	B_u	3036	2930	146.41
30	B_u	1512	1459	13.91
31	B_u	1417	1368	1.46
32	B_u	1278	1233	3.91
33	B_u	1042	1006	10.91
34	B_u	782	755	43.01
35	B_u	588	567	24.87
36	B_u	257	248	34.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.774	1.225
C2	0.000	0.774	-1.225
C3	0.000	-0.774	1.225
C4	0.000	-0.774	-1.225
O5	-0.693	-1.279	0.000
O6	0.693	1.279	0.000
H7	-1.040	1.155	1.239
H8	-1.040	1.155	-1.239
H9	1.040	-1.155	-1.239
H10	1.040	-1.155	1.239
H11	0.571	1.189	-2.070
H12	0.571	1.189	2.070
H13	-0.571	-1.189	-2.070
H14	-0.571	-1.189	2.070

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.4506	1.5483	2.8987	2.4892	1.4956	1.1075	2.7013	3.2977	2.1919	3.3703	1.1010	3.8780	2.2119
C2	2.4506		2.8987	1.5483	2.4892	1.4956	2.7013	1.1075	2.1919	3.2977	1.1010	3.3703	2.2119	3.8780
C3	1.5483	2.8987		2.4506	1.4956	2.4892	2.1919	3.2977	2.7013	1.1075	3.8780	2.2119	3.3703	1.1010
C4	2.8987	1.5483	2.4506		1.4956	2.4892	3.2977	2.1919	1.1075	2.7013	2.2119	3.8780	1.1010	3.3703
O5	2.4892	2.4892	1.4956	1.4956		2.9093	2.7530	2.7530	2.1338	2.1338	3.4602	3.4602	2.0758	2.0758
O6	1.4956	1.4956	2.4892	2.4892	2.9093		2.1338	2.1338	2.7530	2.7530	2.0758	2.0758	3.4602	3.4602
H7	1.1075	2.7013	2.1919	3.2977	2.7530	2.1338		2.4772	3.9750	3.1087	3.6804	1.8134	4.0819	2.5308
H8	2.7013	1.1075	3.2977	2.1919	2.7530	2.1338	2.4772		3.1087	3.9750	1.8134	3.6804	2.5308	4.0819
H9	3.2977	2.1919	2.7013	1.1075	2.1338	2.7530	3.9750	3.1087		2.4772	2.5308	4.0819	1.8134	3.6804
H10	2.1919	3.2977	1.1075	2.7013	2.1338	2.7530	3.1087	3.9750	2.4772		4.0819	2.5308	3.6804	1.8134
H11	3.3703	1.1010	3.8780	2.2119	3.4602	2.0758	3.6804	1.8134	2.5308	4.0819		4.1405	2.6375	4.9093
H12	1.1010	3.3703	2.2119	3.8780	3.4602	2.0758	1.8134	3.6804	4.0819	2.5308	4.1405		4.9093	2.6375
H13	3.8780	2.2119	3.3703	1.1010	2.0758	3.4602	4.0819	2.5308	1.8134	3.6804	2.6375	4.9093		4.1405
H14	2.2119	3.8780	1.1010	3.3703	2.0758	3.4602	2.5308	4.0819	3.6804	1.8134	4.9093	2.6375	4.1405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	109.718	C1	C3	H10	110.139
C1	C3	H14	112.109	C1	O6	C2	110.023
C2	C4	O5	109.718	C2	C4	H9	110.139
C2	C4	H13	112.109	C3	C1	O6	109.718
C3	C1	H7	110.139	C3	C1	H12	112.109
C3	O5	C4	110.023	C4	C2	O6	109.718
C4	C2	H8	110.139	C4	C2	H11	112.109
O5	C3	H10	109.206	O5	C3	H14	105.137
O5	C4	H9	109.206	O5	C4	H13	105.137
O6	C1	H7	109.206	O6	C1	H12	105.137
O6	C2	H8	109.206	O6	C2	H11	105.137
H7	C1	H12	110.390	H8	C2	H11	110.390
H9	C4	H13	110.390	H10	C3	H14	110.390

All results from a given calculation for C₄H₈O₂ (1,4-Dioxane)

using model chemistry: MP2/SDD

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 (1,4-Dioxane)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₄H₈O₂ (1,4-Dioxane)