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	hartrees
Energy at 0K	-57.977653
Energy at 298.15K	-57.989170
Nuclear repulsion energy	148.222091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3304	2967	0.00
2	A_g	3220	2891	0.00
3	A_g	1648	1480	0.00
4	A_g	1585	1424	0.00
5	A_g	1444	1297	0.00
6	A_g	1258	1130	0.00
7	A_g	1121	1007	0.00
8	A_g	918	824	0.00
9	A_g	468	420	0.00
10	A_g	441	396	0.00
11	A_u	3296	2960	173.62
12	A_u	3211	2884	84.59
13	A_u	1633	1466	0.04
14	A_u	1544	1387	59.03
15	A_u	1392	1250	95.81
16	A_u	1293	1161	206.65
17	A_u	1211	1087	4.74
18	A_u	969	870	26.39
19	A_u	263	236	1.38
20	B_g	3301	2964	0.00
21	B_g	3214	2886	0.00
22	B_g	1623	1457	0.00
23	B_g	1483	1332	0.00
24	B_g	1345	1208	0.00
25	B_g	1279	1149	0.00
26	B_g	941	845	0.00
27	B_g	522	469	0.00
28	B_u	3306	2969	143.79
29	B_u	3222	2893	234.26
30	B_u	1639	1472	7.92
31	B_u	1546	1388	22.28
32	B_u	1433	1287	17.52
33	B_u	1149	1032	13.03
34	B_u	992	891	95.19
35	B_u	659	592	19.16
36	B_u	291	261	27.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.766	1.166
C2	0.000	0.766	-1.166
C3	0.000	-0.766	1.166
C4	0.000	-0.766	-1.166
O5	-0.626	-1.258	0.000
O6	0.626	1.258	0.000
H7	-1.028	1.137	1.221
H8	-1.028	1.137	-1.221
H9	1.028	-1.137	-1.221
H10	1.028	-1.137	1.221
H11	0.558	1.152	-2.017
H12	0.558	1.152	2.017
H13	-0.558	-1.152	-2.017
H14	-0.558	-1.152	2.017

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.3313	1.5324	2.7899	2.4183	1.4114	1.0942	2.6253	3.2212	2.1636	3.2538	1.0883	3.7572	2.1711
C2	2.3313		2.7899	1.5324	2.4183	1.4114	2.6253	1.0942	2.1636	3.2212	1.0883	3.2538	2.1711	3.7572
C3	1.5324	2.7899		2.3313	1.4114	2.4183	2.1636	3.2212	2.6253	1.0942	3.7572	2.1711	3.2538	1.0883
C4	2.7899	1.5324	2.3313		1.4114	2.4183	3.2212	2.1636	1.0942	2.6253	2.1711	3.7572	1.0883	3.2538
O5	2.4183	2.4183	1.4114	1.4114		2.8102	2.7184	2.7184	2.0594	2.0594	3.3579	3.3579	2.0206	2.0206
O6	1.4114	1.4114	2.4183	2.4183	2.8102		2.0594	2.0594	2.7184	2.7184	2.0206	2.0206	3.3579	3.3579
H7	1.0942	2.6253	2.1636	3.2212	2.7184	2.0594		2.4428	3.9197	3.0654	3.6058	1.7747	3.9927	2.4677
H8	2.6253	1.0942	3.2212	2.1636	2.7184	2.0594	2.4428		3.0654	3.9197	1.7747	3.6058	2.4677	3.9927
H9	3.2212	2.1636	2.6253	1.0942	2.0594	2.7184	3.9197	3.0654		2.4428	2.4677	3.9927	1.7747	3.6058
H10	2.1636	3.2212	1.0942	2.6253	2.0594	2.7184	3.0654	3.9197	2.4428		3.9927	2.4677	3.6058	1.7747
H11	3.2538	1.0883	3.7572	2.1711	3.3579	2.0206	3.6058	1.7747	2.4677	3.9927		4.0333	2.5596	4.7769
H12	1.0883	3.2538	2.1711	3.7572	3.3579	2.0206	1.7747	3.6058	3.9927	2.4677	4.0333		4.7769	2.5596
H13	3.7572	2.1711	3.2538	1.0883	2.0206	3.3579	3.9927	2.4677	1.7747	3.6058	2.5596	4.7769		4.0333
H14	2.1711	3.7572	1.0883	3.2538	2.0206	3.3579	2.4677	3.9927	3.6058	1.7747	4.7769	2.5596	4.0333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	110.399	C1	C3	H10	109.793
C1	C3	H14	110.737	C1	O6	C2	111.357
C2	C4	O5	110.399	C2	C4	H9	109.793
C2	C4	H13	110.737	C3	C1	O6	110.399
C3	C1	H7	109.793	C3	C1	H12	110.737
C3	O5	C4	111.357	C4	C2	O6	110.399
C4	C2	H8	109.793	C4	C2	H11	110.737
O5	C3	H10	109.904	O5	C3	H14	107.157
O5	C4	H9	109.904	O5	C4	H13	107.157
O6	C1	H7	109.904	O6	C1	H12	107.157
O6	C2	H8	109.904	O6	C2	H11	107.157
H7	C1	H12	108.803	H8	C2	H11	108.803
H9	C4	H13	108.803	H10	C3	H14	108.803

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.067
2	C	-0.067
3	C	-0.067
4	C	-0.067
5	O	-0.372
6	O	-0.372
7	H	0.091
8	H	0.091
9	H	0.091
10	H	0.091
11	H	0.162
12	H	0.162
13	H	0.162
14	H	0.162

	x	y	z
x	5.663	-0.079	0.000
y	-0.079	6.078	0.000
z	0.000	0.000	7.251

<r²>	115.862
(<r²>)^1/2	10.764

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

using model chemistry: HF/CEP-31G*

States and conformations

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