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	hartrees
Energy at 0K	-57.833741
Energy at 298.15K	-57.845148
Nuclear repulsion energy	146.316336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3337	3008	0.00
2	A_g	3240	2921	0.00
3	A_g	1647	1484	0.00
4	A_g	1546	1393	0.00
5	A_g	1417	1278	0.00
6	A_g	1258	1134	0.00
7	A_g	1110	1001	0.00
8	A_g	888	800	0.00
9	A_g	449	405	0.00
10	A_g	413	373	0.00
11	A_u	3329	3001	142.19
12	A_u	3233	2915	91.98
13	A_u	1634	1473	0.55
14	A_u	1517	1367	30.79
15	A_u	1372	1237	69.26
16	A_u	1253	1129	158.20
17	A_u	1202	1083	22.54
18	A_u	974	878	33.78
19	A_u	249	225	2.79
20	B_g	3334	3006	0.00
21	B_g	3235	2916	0.00
22	B_g	1630	1470	0.00
23	B_g	1490	1343	0.00
24	B_g	1324	1194	0.00
25	B_g	1231	1110	0.00
26	B_g	937	845	0.00
27	B_g	521	469	0.00
28	B_u	3340	3011	136.70
29	B_u	3241	2921	225.84
30	B_u	1641	1479	14.12
31	B_u	1540	1388	4.24
32	B_u	1407	1268	11.91
33	B_u	1135	1023	16.36
34	B_u	923	832	76.98
35	B_u	656	592	31.35
36	B_u	270	243	43.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.768	1.209
C2	0.000	0.768	-1.209
C3	0.000	-0.768	1.209
C4	0.000	-0.768	-1.209
O5	-0.629	-1.253	0.000
O6	0.629	1.253	0.000
H7	-1.021	1.147	1.263
H8	-1.021	1.147	-1.263
H9	1.021	-1.147	-1.263
H10	1.021	-1.147	1.263
H11	0.576	1.168	-2.036
H12	0.576	1.168	2.036
H13	-0.576	-1.168	-2.036
H14	-0.576	-1.168	2.036

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.4175	1.5364	2.8644	2.4374	1.4462	1.0903	2.7012	3.2894	2.1709	3.3192	1.0840	3.8219	2.1828
C2	2.4175		2.8644	1.5364	2.4374	1.4462	2.7012	1.0903	2.1709	3.2894	1.0840	3.3192	2.1828	3.8219
C3	1.5364	2.8644		2.4175	1.4462	2.4374	2.1709	3.2894	2.7012	1.0903	3.8219	2.1828	3.3192	1.0840
C4	2.8644	1.5364	2.4175		1.4462	2.4374	3.2894	2.1709	1.0903	2.7012	2.1828	3.8219	1.0840	3.3192
O5	2.4374	2.4374	1.4462	1.4462		2.8036	2.7400	2.7400	2.0807	2.0807	3.3846	3.3846	2.0381	2.0381
O6	1.4462	1.4462	2.4374	2.4374	2.8036		2.0807	2.0807	2.7400	2.7400	2.0381	2.0381	3.3846	3.3846
H7	1.0903	2.7012	2.1709	3.2894	2.7400	2.0807		2.5265	3.9766	3.0709	3.6650	1.7737	4.0547	2.4808
H8	2.7012	1.0903	3.2894	2.1709	2.7400	2.0807	2.5265		3.0709	3.9766	1.7737	3.6650	2.4808	4.0547
H9	3.2894	2.1709	2.7012	1.0903	2.0807	2.7400	3.9766	3.0709		2.5265	2.4808	4.0547	1.7737	3.6650
H10	2.1709	3.2894	1.0903	2.7012	2.0807	2.7400	3.0709	3.9766	2.5265		4.0547	2.4808	3.6650	1.7737
H11	3.3192	1.0840	3.8219	2.1828	3.3846	2.0381	3.6650	1.7737	2.4808	4.0547		4.0713	2.6045	4.8331
H12	1.0840	3.3192	2.1828	3.8219	3.3846	2.0381	1.7737	3.6650	4.0547	2.4808	4.0713		4.8331	2.6045
H13	3.8219	2.1828	3.3192	1.0840	2.0381	3.3846	4.0547	2.4808	1.7737	3.6650	2.6045	4.8331		4.0713
H14	2.1828	3.8219	1.0840	3.3192	2.0381	3.3846	2.4808	4.0547	3.6650	1.7737	4.8331	2.6045	4.0713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	109.575	C1	C3	H10	110.327
C1	C3	H14	111.651	C1	O6	C2	113.395
C2	C4	O5	109.575	C2	C4	H9	110.327
C2	C4	H13	111.651	C3	C1	O6	109.575
C3	C1	H7	110.327	C3	C1	H12	111.651
C3	O5	C4	113.395	C4	C2	O6	109.575
C4	C2	H8	110.327	C4	C2	H11	111.651
O5	C3	H10	109.434	O5	C3	H14	106.438
O5	C4	H9	109.434	O5	C4	H13	106.438
O6	C1	H7	109.434	O6	C1	H12	106.438
O6	C2	H8	109.434	O6	C2	H11	106.438
H7	C1	H12	109.324	H8	C2	H11	109.324
H9	C4	H13	109.324	H10	C3	H14	109.324

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	-0.053
2	C	-0.053
3	C	-0.053
4	C	-0.053
5	O	-0.439
6	O	-0.439
7	H	0.106
8	H	0.106
9	H	0.106
10	H	0.106
11	H	0.165
12	H	0.165
13	H	0.165
14	H	0.165

	x	y	z
x	5.489	-0.007	0.000
y	-0.007	5.815	0.000
z	0.000	0.000	7.391

<r²>	118.729
(<r²>)^1/2	10.896

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)