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	hartrees
Energy at 0K	-306.766691
Energy at 298.15K	-306.777963
HF Energy	-305.842973
Nuclear repulsion energy	263.978182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3157	3007	0.00
2	A_g	3035	2891	0.00
3	A_g	1493	1422	0.00
4	A_g	1436	1368	0.00
5	A_g	1337	1274	0.00
6	A_g	1151	1096	0.00
7	A_g	1059	1009	0.00
8	A_g	866	825	0.00
9	A_g	442	421	0.00
10	A_g	430	409	0.00
11	A_u	3156	3006	82.91
12	A_u	3031	2887	49.88
13	A_u	1476	1406	0.21
14	A_u	1402	1335	35.18
15	A_u	1286	1225	38.33
16	A_u	1190	1134	154.28
17	A_u	1112	1059	5.48
18	A_u	912	869	24.41
19	A_u	251	239	0.92
20	B_g	3156	3006	0.00
21	B_g	3037	2893	0.00
22	B_g	1472	1402	0.00
23	B_g	1355	1290	0.00
24	B_g	1242	1183	0.00
25	B_g	1165	1110	0.00
26	B_g	872	831	0.00
27	B_g	480	458	0.00
28	B_u	3157	3007	52.25
29	B_u	3041	2896	155.33
30	B_u	1487	1416	11.43
31	B_u	1411	1344	4.93
32	B_u	1323	1260	10.53
33	B_u	1075	1024	9.96
34	B_u	917	874	67.01
35	B_u	608	579	11.31
36	B_u	282	268	18.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.762	1.160
C2	0.000	0.762	-1.160
C3	0.000	-0.762	1.160
C4	0.000	-0.762	-1.160
O5	-0.656	-1.263	0.000
O6	0.656	1.263	0.000
H7	-1.049	1.125	1.195
H8	-1.049	1.125	-1.195
H9	1.049	-1.125	-1.195
H10	1.049	-1.125	1.195
H11	0.545	1.156	-2.032
H12	0.545	1.156	2.032
H13	-0.545	-1.156	-2.032
H14	-0.545	-1.156	2.032

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.3194	1.5232	2.7749	2.4236	1.4237	1.1104	2.6028	3.1939	2.1585	3.2621	1.1019	3.7635	2.1763
C2	2.3194		2.7749	1.5232	2.4236	1.4237	2.6028	1.1104	2.1585	3.1939	1.1019	3.2621	2.1763	3.7635
C3	1.5232	2.7749		2.3194	1.4237	2.4236	2.1585	3.1939	2.6028	1.1104	3.7635	2.1763	3.2621	1.1019
C4	2.7749	1.5232	2.3194		1.4237	2.4236	3.1939	2.1585	1.1104	2.6028	2.1763	3.7635	1.1019	3.2621
O5	2.4236	2.4236	1.4237	1.4237		2.8463	2.6984	2.6984	2.0864	2.0864	3.3801	3.3801	2.0381	2.0381
O6	1.4237	1.4237	2.4236	2.4236	2.8463		2.0864	2.0864	2.6984	2.6984	2.0381	2.0381	3.3801	3.3801
H7	1.1104	2.6028	2.1585	3.1939	2.6984	2.0864		2.3893	3.8946	3.0756	3.5992	1.8008	3.9836	2.4815
H8	2.6028	1.1104	3.1939	2.1585	2.6984	2.0864	2.3893		3.0756	3.8946	1.8008	3.5992	2.4815	3.9836
H9	3.1939	2.1585	2.6028	1.1104	2.0864	2.6984	3.8946	3.0756		2.3893	2.4815	3.9836	1.8008	3.5992
H10	2.1585	3.1939	1.1104	2.6028	2.0864	2.6984	3.0756	3.8946	2.3893		3.9836	2.4815	3.5992	1.8008
H11	3.2621	1.1019	3.7635	2.1763	3.3801	2.0381	3.5992	1.8008	2.4815	3.9836		4.0645	2.5566	4.8017
H12	1.1019	3.2621	2.1763	3.7635	3.3801	2.0381	1.8008	3.5992	3.9836	2.4815	4.0645		4.8017	2.5566
H13	3.7635	2.1763	3.2621	1.1019	2.0381	3.3801	3.9836	2.4815	1.8008	3.5992	2.5566	4.8017		4.0645
H14	2.1763	3.7635	1.1019	3.2621	2.0381	3.3801	2.4815	3.9836	3.5992	1.8008	4.8017	2.5566	4.0645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	110.613	C1	C3	H10	109.088
C1	C3	H14	110.986	C1	O6	C2	109.097
C2	C4	O5	110.613	C2	C4	H9	109.088
C2	C4	H13	110.986	C3	C1	O6	110.613
C3	C1	H7	109.088	C3	C1	H12	110.986
C3	O5	C4	109.097	C4	C2	O6	110.613
C4	C2	H8	109.088	C4	C2	H11	110.986
O5	C3	H10	110.233	O5	C3	H14	106.912
O5	C4	H9	110.233	O5	C4	H13	106.912
O6	C1	H7	110.233	O6	C1	H12	106.912
O6	C2	H8	110.233	O6	C2	H11	106.912
H7	C1	H12	108.980	H8	C2	H11	108.980
H9	C4	H13	108.980	H10	C3	H14	108.980

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

using model chemistry: MP2/cc-pVDZ

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

using model chemistry: MP2/cc-pVDZ

States and conformations

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