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	hartrees
Energy at 0K	-304.722106
Energy at 298.15K	-304.733200
HF Energy	-304.124876
Nuclear repulsion energy	258.727464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3158	3004	0.00
2	A_g	3061	2912	0.00
3	A_g	1583	1506	0.00
4	A_g	1457	1386	0.00
5	A_g	1338	1273	0.00
6	A_g	1166	1109	0.00
7	A_g	997	949	0.00
8	A_g	823	783	0.00
9	A_g	433	412	0.00
10	A_g	394	375	0.00
11	A_u	3155	3001	54.87
12	A_u	3059	2910	29.94
13	A_u	1567	1491	0.12
14	A_u	1424	1355	27.95
15	A_u	1303	1240	12.43
16	A_u	1126	1071	7.97
17	A_u	1096	1043	92.35
18	A_u	884	841	19.76
19	A_u	236	224	2.21
20	B_g	3157	3004	0.00
21	B_g	3066	2916	0.00
22	B_g	1568	1492	0.00
23	B_g	1407	1339	0.00
24	B_g	1256	1195	0.00
25	B_g	1099	1046	0.00
26	B_g	884	841	0.00
27	B_g	463	441	0.00
28	B_u	3160	3006	52.66
29	B_u	3068	2918	108.52
30	B_u	1579	1502	10.35
31	B_u	1469	1398	0.00
32	B_u	1328	1263	3.40
33	B_u	1082	1030	8.96
34	B_u	826	786	30.91
35	B_u	591	562	17.64
36	B_u	269	256	26.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.767	1.201
C2	0.000	0.767	-1.201
C3	0.000	-0.767	1.201
C4	0.000	-0.767	-1.201
O5	-0.709	-1.265	0.000
O6	0.709	1.265	0.000
H7	-1.039	1.125	1.209
H8	-1.039	1.125	-1.209
H9	1.039	-1.125	-1.209
H10	1.039	-1.125	1.209
H11	0.544	1.170	-2.059
H12	0.544	1.170	2.059
H13	-0.544	-1.170	-2.059
H14	-0.544	-1.170	2.059

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.4024	1.5336	2.8501	2.4643	1.4811	1.0989	2.6489	3.2353	2.1583	3.3301	1.0928	3.8310	2.1868
C2	2.4024		2.8501	1.5336	2.4643	1.4811	2.6489	1.0989	2.1583	3.2353	1.0928	3.3301	2.1868	3.8310
C3	1.5336	2.8501		2.4024	1.4811	2.4643	2.1583	3.2353	2.6489	1.0989	3.8310	2.1868	3.3301	1.0928
C4	2.8501	1.5336	2.4024		1.4811	2.4643	3.2353	2.1583	1.0989	2.6489	2.1868	3.8310	1.0928	3.3301
O5	2.4643	2.4643	1.4811	1.4811		2.9000	2.6983	2.6983	2.1300	2.1300	3.4259	3.4259	2.0683	2.0683
O6	1.4811	1.4811	2.4643	2.4643	2.9000		2.1300	2.1300	2.6983	2.6983	2.0683	2.0683	3.4259	3.4259
H7	1.0989	2.6489	2.1583	3.2353	2.6983	2.1300		2.4180	3.9021	3.0626	3.6316	1.7970	4.0241	2.4968
H8	2.6489	1.0989	3.2353	2.1583	2.6983	2.1300	2.4180		3.0626	3.9021	1.7970	3.6316	2.4968	4.0241
H9	3.2353	2.1583	2.6489	1.0989	2.1300	2.6983	3.9021	3.0626		2.4180	2.4968	4.0241	1.7970	3.6316
H10	2.1583	3.2353	1.0989	2.6489	2.1300	2.6983	3.0626	3.9021	2.4180		4.0241	2.4968	3.6316	1.7970
H11	3.3301	1.0928	3.8310	2.1868	3.4259	2.0683	3.6316	1.7970	2.4968	4.0241		4.1189	2.5796	4.8600
H12	1.0928	3.3301	2.1868	3.8310	3.4259	2.0683	1.7970	3.6316	4.0241	2.4968	4.1189		4.8600	2.5796
H13	3.8310	2.1868	3.3301	1.0928	2.0683	3.4259	4.0241	2.4968	1.7970	3.6316	2.5796	4.8600		4.1189
H14	2.1868	3.8310	1.0928	3.3301	2.0683	3.4259	2.4968	4.0241	3.6316	1.7970	4.8600	2.5796	4.1189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	109.644	C1	C3	H10	109.022
C1	C3	H14	111.632	C1	O6	C2	108.388
C2	C4	O5	109.644	C2	C4	H9	109.022
C2	C4	H13	111.632	C3	C1	O6	109.644
C3	C1	H7	109.022	C3	C1	H12	111.632
C3	O5	C4	108.388	C4	C2	O6	109.644
C4	C2	H8	109.022	C4	C2	H11	111.632
O5	C3	H10	110.417	O5	C3	H14	105.953
O5	C4	H9	110.417	O5	C4	H13	105.953
O6	C1	H7	110.417	O6	C1	H12	105.953
O6	C2	H8	110.417	O6	C2	H11	105.953
H7	C1	H12	110.147	H8	C2	H11	110.147
H9	C4	H13	110.147	H10	C3	H14	110.147

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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