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	hartrees
Energy at 0K	-305.684166
Energy at 298.15K	-305.695621
Nuclear repulsion energy	263.443762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3304	2983	0.00
2	A_g	3206	2894	0.00
3	A_g	1666	1504	0.00
4	A_g	1551	1401	0.00
5	A_g	1434	1294	0.00
6	A_g	1267	1144	0.00
7	A_g	1104	997	0.00
8	A_g	897	810	0.00
9	A_g	455	411	0.00
10	A_g	420	379	0.00
11	A_u	3300	2979	79.50
12	A_u	3199	2888	37.85
13	A_u	1651	1491	0.03
14	A_u	1523	1375	24.38
15	A_u	1395	1259	44.85
16	A_u	1246	1125	146.62
17	A_u	1206	1089	43.51
18	A_u	978	883	39.68
19	A_u	253	228	2.47
20	B_g	3302	2982	0.00
21	B_g	3206	2894	0.00
22	B_g	1651	1491	0.00
23	B_g	1509	1362	0.00
24	B_g	1344	1213	0.00
25	B_g	1229	1109	0.00
26	B_g	944	853	0.00
27	B_g	529	478	0.00
28	B_u	3306	2985	67.37
29	B_u	3212	2900	141.30
30	B_u	1663	1501	10.76
31	B_u	1559	1408	1.07
32	B_u	1424	1286	10.12
33	B_u	1151	1039	16.16
34	B_u	916	827	67.95
35	B_u	667	602	32.12
36	B_u	272	245	41.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.758	1.205
C2	0.000	0.758	-1.205
C3	0.000	-0.758	1.205
C4	0.000	-0.758	-1.205
O5	-0.624	-1.232	0.000
O6	0.624	1.232	0.000
H7	-1.016	1.134	1.258
H8	-1.016	1.134	-1.258
H9	1.016	-1.134	-1.258
H10	1.016	-1.134	1.258
H11	0.573	1.163	-2.024
H12	0.573	1.163	2.024
H13	-0.573	-1.163	-2.024
H14	-0.573	-1.163	2.024

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.4091	1.5166	2.8468	2.4090	1.4370	1.0846	2.6901	3.2675	2.1485	3.3038	1.0785	3.8005	2.1660
C2	2.4091		2.8468	1.5166	2.4090	1.4370	2.6901	1.0846	2.1485	3.2675	1.0785	3.3038	2.1660	3.8005
C3	1.5166	2.8468		2.4091	1.4370	2.4090	2.1485	3.2675	2.6901	1.0846	3.8005	2.1660	3.3038	1.0785
C4	2.8468	1.5166	2.4091		1.4370	2.4090	3.2675	2.1485	1.0846	2.6901	2.1660	3.8005	1.0785	3.3038
O5	2.4090	2.4090	1.4370	1.4370		2.7626	2.7083	2.7083	2.0693	2.0693	3.3566	3.3566	2.0258	2.0258
O6	1.4370	1.4370	2.4090	2.4090	2.7626		2.0693	2.0693	2.7083	2.7083	2.0258	2.0258	3.3566	3.3566
H7	1.0846	2.6901	2.1485	3.2675	2.7083	2.0693		2.5155	3.9499	3.0452	3.6462	1.7641	4.0303	2.4619
H8	2.6901	1.0846	3.2675	2.1485	2.7083	2.0693	2.5155		3.0452	3.9499	1.7641	3.6462	2.4619	4.0303
H9	3.2675	2.1485	2.6901	1.0846	2.0693	2.7083	3.9499	3.0452		2.5155	2.4619	4.0303	1.7641	3.6462
H10	2.1485	3.2675	1.0846	2.6901	2.0693	2.7083	3.0452	3.9499	2.5155		4.0303	2.4619	3.6462	1.7641
H11	3.3038	1.0785	3.8005	2.1660	3.3566	2.0258	3.6462	1.7641	2.4619	4.0303		4.0479	2.5931	4.8072
H12	1.0785	3.3038	2.1660	3.8005	3.3566	2.0258	1.7641	3.6462	4.0303	2.4619	4.0479		4.8072	2.5931
H13	3.8005	2.1660	3.3038	1.0785	2.0258	3.3566	4.0303	2.4619	1.7641	3.6462	2.5931	4.8072		4.0479
H14	2.1660	3.8005	1.0785	3.3038	2.0258	3.3566	2.4619	4.0303	3.6462	1.7641	4.8072	2.5931	4.0479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	109.259	C1	C3	H10	110.261
C1	C3	H14	112.051	C1	O6	C2	113.908
C2	C4	O5	109.259	C2	C4	H9	110.261
C2	C4	H13	112.051	C3	C1	O6	109.259
C3	C1	H7	110.261	C3	C1	H12	112.051
C3	O5	C4	113.908	C4	C2	O6	109.259
C4	C2	H8	110.261	C4	C2	H11	112.051
O5	C3	H10	109.494	O5	C3	H14	106.406
O5	C4	H9	109.494	O5	C4	H13	106.406
O6	C1	H7	109.494	O6	C1	H12	106.406
O6	C2	H8	109.494	O6	C2	H11	106.406
H7	C1	H12	109.275	H8	C2	H11	109.275
H9	C4	H13	109.275	H10	C3	H14	109.275

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

using model chemistry: HF/6-31G

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	CHELPG
1	C	0.004	0.199
2	C	0.004	0.199
3	C	0.004	0.199
4	C	0.004	0.199
5	O	-0.701	-0.572
6	O	-0.701	-0.572
7	H	0.163	0.054
8	H	0.163	0.054
9	H	0.163	0.054
10	H	0.163	0.054
11	H	0.183	0.033
12	H	0.183	0.033
13	H	0.183	0.033
14	H	0.183	0.033

	x	y	z
x	5.838	-0.065	0.000
y	-0.065	5.797	0.000
z	0.000	0.000	7.750

<r²>	140.955
(<r²>)^1/2	11.872

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

using model chemistry: HF/6-31G

States and conformations

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