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	hartrees
Energy at 0K	-305.837541
Energy at 298.15K	-305.849103
Nuclear repulsion energy	266.743692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3262	2944	0.00
2	A_g	3168	2860	0.00
3	A_g	1647	1487	0.00
4	A_g	1580	1426	0.00
5	A_g	1449	1308	0.00
6	A_g	1265	1142	0.00
7	A_g	1120	1011	0.00
8	A_g	926	836	0.00
9	A_g	469	423	0.00
10	A_g	444	400	0.00
11	A_u	3258	2941	131.73
12	A_u	3158	2850	46.43
13	A_u	1630	1471	0.16
14	A_u	1538	1388	45.69
15	A_u	1403	1266	81.92
16	A_u	1294	1168	211.77
17	A_u	1218	1099	5.47
18	A_u	972	878	26.60
19	A_u	266	240	1.29
20	B_g	3259	2941	0.00
21	B_g	3165	2857	0.00
22	B_g	1624	1466	0.00
23	B_g	1491	1346	0.00
24	B_g	1353	1221	0.00
25	B_g	1285	1160	0.00
26	B_g	946	854	0.00
27	B_g	532	481	0.00
28	B_u	3262	2944	91.95
29	B_u	3174	2865	183.12
30	B_u	1641	1481	6.38
31	B_u	1553	1402	10.09
32	B_u	1440	1300	16.34
33	B_u	1159	1046	14.34
34	B_u	990	894	86.70
35	B_u	668	603	19.32
36	B_u	288	260	26.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.759	1.164
C2	0.000	0.759	-1.164
C3	0.000	-0.759	1.164
C4	0.000	-0.759	-1.164
O5	-0.616	-1.241	0.000
O6	0.616	1.241	0.000
H7	-1.024	1.126	1.224
H8	-1.024	1.126	-1.224
H9	1.024	-1.126	-1.224
H10	1.024	-1.126	1.224
H11	0.557	1.149	-2.007
H12	0.557	1.149	2.007
H13	-0.557	-1.149	-2.007
H14	-0.557	-1.149	2.007

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.3279	1.5176	2.7789	2.3946	1.4025	1.0898	2.6244	3.2100	2.1459	3.2433	1.0833	3.7423	2.1586
C2	2.3279		2.7789	1.5176	2.3946	1.4025	2.6244	1.0898	2.1459	3.2100	1.0833	3.2433	2.1586	3.7423
C3	1.5176	2.7789		2.3279	1.4025	2.3946	2.1459	3.2100	2.6244	1.0898	3.7423	2.1586	3.2433	1.0833
C4	2.7789	1.5176	2.3279		1.4025	2.3946	3.2100	2.1459	1.0898	2.6244	2.1586	3.7423	1.0833	3.2433
O5	2.3946	2.3946	1.4025	1.4025		2.7713	2.6961	2.6961	2.0499	2.0499	3.3341	3.3341	2.0103	2.0103
O6	1.4025	1.4025	2.3946	2.3946	2.7713		2.0499	2.0499	2.6961	2.6961	2.0103	2.0103	3.3341	3.3341
H7	1.0898	2.6244	2.1459	3.2100	2.6961	2.0499		2.4484	3.9066	3.0442	3.5978	1.7649	3.9791	2.4503
H8	2.6244	1.0898	3.2100	2.1459	2.6961	2.0499	2.4484		3.0442	3.9066	1.7649	3.5978	2.4503	3.9791
H9	3.2100	2.1459	2.6244	1.0898	2.0499	2.6961	3.9066	3.0442		2.4484	2.4503	3.9791	1.7649	3.5978
H10	2.1459	3.2100	1.0898	2.6244	2.0499	2.6961	3.0442	3.9066	2.4484		3.9791	2.4503	3.5978	1.7649
H11	3.2433	1.0833	3.7423	2.1586	3.3341	2.0103	3.5978	1.7649	2.4503	3.9791		4.0146	2.5531	4.7576
H12	1.0833	3.2433	2.1586	3.7423	3.3341	2.0103	1.7649	3.5978	3.9791	2.4503	4.0146		4.7576	2.5531
H13	3.7423	2.1586	3.2433	1.0833	2.0103	3.3341	3.9791	2.4503	1.7649	3.5978	2.5531	4.7576		4.0146
H14	2.1586	3.7423	1.0833	3.2433	2.0103	3.3341	2.4503	3.9791	3.5978	1.7649	4.7576	2.5531	4.0146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	110.123	C1	C3	H10	109.683
C1	C3	H14	111.086	C1	O6	C2	112.187
C2	C4	O5	110.123	C2	C4	H9	109.683
C2	C4	H13	111.086	C3	C1	O6	110.123
C3	C1	H7	109.683	C3	C1	H12	111.086
C3	O5	C4	112.187	C4	C2	O6	110.123
C4	C2	H8	109.683	C4	C2	H11	111.086
O5	C3	H10	110.042	O5	C3	H14	107.245
O5	C4	H9	110.042	O5	C4	H13	107.245
O6	C1	H7	110.042	O6	C1	H12	107.245
O6	C2	H8	110.042	O6	C2	H11	107.245
H7	C1	H12	108.618	H8	C2	H11	108.618
H9	C4	H13	108.618	H10	C3	H14	108.618

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	0.088	0.156
2	C	0.088	0.156
3	C	0.088	0.156
4	C	0.088	0.156
5	O	-0.638	-0.449
6	O	-0.638	-0.449
7	H	0.106	0.036
8	H	0.106	0.036
9	H	0.106	0.036
10	H	0.106	0.036
11	H	0.125	0.033
12	H	0.125	0.033
13	H	0.125	0.033
14	H	0.125	0.033

	x	y	z
x	6.031	-0.142	0.000
y	-0.142	6.080	0.000
z	0.000	0.000	7.653

<r²>	137.806
(<r²>)^1/2	11.739

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)