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	hartrees
Energy at 0K	-58.800902
Energy at 298.15K	-58.812133
HF Energy	-57.973498
Nuclear repulsion energy	146.393420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3164	3004	0.00
2	A_g	3065	2910	0.00
3	A_g	1527	1450	0.00
4	A_g	1455	1381	0.00
5	A_g	1344	1276	0.00
6	A_g	1165	1106	0.00
7	A_g	1050	997	0.00
8	A_g	850	807	0.00
9	A_g	442	420	0.00
10	A_g	426	404	0.00
11	A_u	3160	3000	72.05
12	A_u	3064	2909	90.29
13	A_u	1515	1438	0.80
14	A_u	1422	1350	29.73
15	A_u	1289	1224	41.82
16	A_u	1177	1117	150.52
17	A_u	1124	1067	11.26
18	A_u	909	863	20.26
19	A_u	258	245	1.70
20	B_g	3168	3007	0.00
21	B_g	3067	2912	0.00
22	B_g	1507	1431	0.00
23	B_g	1369	1300	0.00
24	B_g	1248	1185	0.00
25	B_g	1155	1097	0.00
26	B_g	879	834	0.00
27	B_g	482	458	0.00
28	B_u	3170	3010	84.08
29	B_u	3067	2912	149.45
30	B_u	1517	1440	13.27
31	B_u	1424	1352	7.06
32	B_u	1326	1259	7.12
33	B_u	1070	1016	9.17
34	B_u	902	856	70.30
35	B_u	610	579	15.04
36	B_u	285	271	24.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.769	1.171
C2	0.000	0.769	-1.171
C3	0.000	-0.769	1.171
C4	0.000	-0.769	-1.171
O5	-0.669	-1.275	0.000
O6	0.669	1.275	0.000
H7	-1.044	1.143	1.200
H8	-1.044	1.143	-1.200
H9	1.044	-1.143	-1.200
H10	1.044	-1.143	1.200
H11	0.558	1.162	-2.039
H12	0.558	1.162	2.039
H13	-0.558	-1.162	-2.039
H14	-0.558	-1.162	2.039

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.3427	1.5376	2.8022	2.4483	1.4404	1.1095	2.6179	3.2198	2.1783	3.2819	1.1037	3.7872	2.1887
C2	2.3427		2.8022	1.5376	2.4483	1.4404	2.6179	1.1095	2.1783	3.2198	1.1037	3.2819	2.1887	3.7872
C3	1.5376	2.8022		2.3427	1.4404	2.4483	2.1783	3.2198	2.6179	1.1095	3.7872	2.1887	3.2819	1.1037
C4	2.8022	1.5376	2.3427		1.4404	2.4483	3.2198	2.1783	1.1095	2.6179	2.1887	3.7872	1.1037	3.2819
O5	2.4483	2.4483	1.4404	1.4404		2.8785	2.7247	2.7247	2.0956	2.0956	3.4053	3.4053	2.0450	2.0450
O6	1.4404	1.4404	2.4483	2.4483	2.8785		2.0956	2.0956	2.7247	2.7247	2.0450	2.0450	3.4053	3.4053
H7	1.1095	2.6179	2.1783	3.2198	2.7247	2.0956		2.4001	3.9172	3.0959	3.6135	1.8085	4.0046	2.5000
H8	2.6179	1.1095	3.2198	2.1783	2.7247	2.0956	2.4001		3.0959	3.9172	1.8085	3.6135	2.5000	4.0046
H9	3.2198	2.1783	2.6179	1.1095	2.0956	2.7247	3.9172	3.0959		2.4001	2.5000	4.0046	1.8085	3.6135
H10	2.1783	3.2198	1.1095	2.6179	2.0956	2.7247	3.0959	3.9172	2.4001		4.0046	2.5000	3.6135	1.8085
H11	3.2819	1.1037	3.7872	2.1887	3.4053	2.0450	3.6135	1.8085	2.5000	4.0046		4.0777	2.5773	4.8239
H12	1.1037	3.2819	2.1887	3.7872	3.4053	2.0450	1.8085	3.6135	4.0046	2.5000	4.0777		4.8239	2.5773
H13	3.7872	2.1887	3.2819	1.1037	2.0450	3.4053	4.0046	2.5000	1.8085	3.6135	2.5773	4.8239		4.0777
H14	2.1887	3.7872	1.1037	3.2819	2.0450	3.4053	2.5000	4.0046	3.6135	1.8085	4.8239	2.5773	4.0777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	110.555	C1	C3	H10	109.690
C1	C3	H14	110.853	C1	O6	C2	108.816
C2	C4	O5	110.555	C2	C4	H9	109.690
C2	C4	H13	110.853	C3	C1	O6	110.555
C3	C1	H7	109.690	C3	C1	H12	110.853
C3	O5	C4	108.816	C4	C2	O6	110.555
C4	C2	H8	109.690	C4	C2	H11	110.853
O5	C3	H10	109.853	O5	C3	H14	106.238
O5	C4	H9	109.853	O5	C4	H13	106.238
O6	C1	H7	109.853	O6	C1	H12	106.238
O6	C2	H8	109.853	O6	C2	H11	106.238
H7	C1	H12	109.595	H8	C2	H11	109.595
H9	C4	H13	109.595	H10	C3	H14	109.595

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

using model chemistry: MP2/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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All results from a given calculation for C4H8O2 (1,4-Dioxane)

using model chemistry: MP2/CEP-31G*

States and conformations

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