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	hartrees
Energy at 0K	-305.903694
Energy at 298.15K	-305.915256
Nuclear repulsion energy	266.816026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3247	2950	0.00
2	A_g	3146	2858	0.00
3	A_g	1635	1485	0.00
4	A_g	1573	1429	0.00
5	A_g	1447	1314	0.00
6	A_g	1258	1142	0.00
7	A_g	1116	1014	0.00
8	A_g	919	835	0.00
9	A_g	467	424	0.00
10	A_g	442	402	0.00
11	A_u	3243	2946	140.40
12	A_u	3136	2849	43.46
13	A_u	1618	1470	0.06
14	A_u	1531	1391	40.13
15	A_u	1397	1270	83.27
16	A_u	1287	1169	213.92
17	A_u	1209	1098	5.53
18	A_u	967	878	27.02
19	A_u	261	237	1.16
20	B_g	3243	2946	0.00
21	B_g	3144	2857	0.00
22	B_g	1612	1465	0.00
23	B_g	1482	1346	0.00
24	B_g	1350	1227	0.00
25	B_g	1277	1161	0.00
26	B_g	939	853	0.00
27	B_g	528	479	0.00
28	B_u	3245	2948	85.49
29	B_u	3154	2865	206.95
30	B_u	1629	1480	9.20
31	B_u	1542	1401	8.82
32	B_u	1438	1306	18.07
33	B_u	1154	1048	14.79
34	B_u	988	897	90.75
35	B_u	667	606	18.33
36	B_u	285	259	25.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.759	1.163
C2	0.000	0.759	-1.163
C3	0.000	-0.759	1.163
C4	0.000	-0.759	-1.163
O5	-0.613	-1.244	0.000
O6	0.613	1.244	0.000
H7	-1.025	1.126	1.224
H8	-1.025	1.126	-1.224
H9	1.025	-1.126	-1.224
H10	1.025	-1.126	1.224
H11	0.558	1.147	-2.006
H12	0.558	1.147	2.006
H13	-0.558	-1.147	-2.006
H14	-0.558	-1.147	2.006

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.3258	1.5175	2.7771	2.3958	1.4013	1.0902	2.6235	3.2094	2.1462	3.2408	1.0828	3.7395	2.1572
C2	2.3258		2.7771	1.5175	2.3958	1.4013	2.6235	1.0902	2.1462	3.2094	1.0828	3.2408	2.1572	3.7395
C3	1.5175	2.7771		2.3258	1.4013	2.3958	2.1462	3.2094	2.6235	1.0902	3.7395	2.1572	3.2408	1.0828
C4	2.7771	1.5175	2.3258		1.4013	2.3958	3.2094	2.1462	1.0902	2.6235	2.1572	3.7395	1.0828	3.2408
O5	2.3958	2.3958	1.4013	1.4013		2.7739	2.6993	2.6993	2.0478	2.0478	3.3334	3.3334	2.0090	2.0090
O6	1.4013	1.4013	2.3958	2.3958	2.7739		2.0478	2.0478	2.6993	2.6993	2.0090	2.0090	3.3334	3.3334
H7	1.0902	2.6235	2.1462	3.2094	2.6993	2.0478		2.4483	3.9071	3.0449	3.5969	1.7652	3.9771	2.4485
H8	2.6235	1.0902	3.2094	2.1462	2.6993	2.0478	2.4483		3.0449	3.9071	1.7652	3.5969	2.4485	3.9771
H9	3.2094	2.1462	2.6235	1.0902	2.0478	2.6993	3.9071	3.0449		2.4483	2.4485	3.9771	1.7652	3.5969
H10	2.1462	3.2094	1.0902	2.6235	2.0478	2.6993	3.0449	3.9071	2.4483		3.9771	2.4485	3.5969	1.7652
H11	3.2408	1.0828	3.7395	2.1572	3.3334	2.0090	3.5969	1.7652	2.4485	3.9771		4.0117	2.5508	4.7540
H12	1.0828	3.2408	2.1572	3.7395	3.3334	2.0090	1.7652	3.5969	3.9771	2.4485	4.0117		4.7540	2.5508
H13	3.7395	2.1572	3.2408	1.0828	2.0090	3.3334	3.9771	2.4485	1.7652	3.5969	2.5508	4.7540		4.0117
H14	2.1572	3.7395	1.0828	3.2408	2.0090	3.3334	2.4485	3.9771	3.5969	1.7652	4.7540	2.5508	4.0117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	110.271	C1	C3	H10	109.689
C1	C3	H14	111.006	C1	O6	C2	112.175
C2	C4	O5	110.271	C2	C4	H9	109.689
C2	C4	H13	111.006	C3	C1	O6	110.271
C3	C1	H7	109.689	C3	C1	H12	111.006
C3	O5	C4	112.175	C4	C2	O6	110.271
C4	C2	H8	109.689	C4	C2	H11	111.006
O5	C3	H10	109.931	O5	C3	H14	107.250
O5	C4	H9	109.931	O5	C4	H13	107.250
O6	C1	H7	109.931	O6	C1	H12	107.250
O6	C2	H8	109.931	O6	C2	H11	107.250
H7	C1	H12	108.649	H8	C2	H11	108.649
H9	C4	H13	108.649	H10	C3	H14	108.649

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

using model chemistry: HF/6-311G**

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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Number	Element	Mulliken
1	C	0.068
2	C	0.068
3	C	0.068
4	C	0.068
5	O	-0.480
6	O	-0.480
7	H	0.081
8	H	0.081
9	H	0.081
10	H	0.081
11	H	0.091
12	H	0.091
13	H	0.091
14	H	0.091

	x	y	z
x	6.223	-0.181	0.000
y	-0.181	6.375	0.000
z	0.000	0.000	7.892

<r²>	137.825
(<r²>)^1/2	11.740

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

using model chemistry: HF/6-311G**

States and conformations

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