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	hartrees
Energy at 0K	-306.311253
Energy at 298.15K	-306.322199
HF Energy	-305.730066
Nuclear repulsion energy	255.941956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3144	3028	0.00
2	A_g	3034	2922	0.00
3	A_g	1518	1462	0.00
4	A_g	1410	1358	0.00
5	A_g	1299	1251	0.00
6	A_g	1152	1110	0.00
7	A_g	1003	966	0.00
8	A_g	776	747	0.00
9	A_g	413	397	0.00
10	A_g	390	375	0.00
11	A_u	3141	3025	73.39
12	A_u	3033	2921	70.29
13	A_u	1508	1453	1.43
14	A_u	1384	1333	13.06
15	A_u	1253	1206	26.58
16	A_u	1111	1070	25.90
17	A_u	1071	1032	81.04
18	A_u	873	841	30.66
19	A_u	233	224	2.88
20	B_g	3146	3030	0.00
21	B_g	3036	2924	0.00
22	B_g	1506	1451	0.00
23	B_g	1368	1318	0.00
24	B_g	1201	1157	0.00
25	B_g	1068	1028	0.00
26	B_g	847	816	0.00
27	B_g	462	445	0.00
28	B_u	3148	3032	68.03
29	B_u	3037	2925	148.60
30	B_u	1512	1456	13.90
31	B_u	1418	1365	1.46
32	B_u	1278	1231	3.95
33	B_u	1042	1004	10.95
34	B_u	782	753	43.14
35	B_u	588	567	24.88
36	B_u	257	248	34.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.774	1.226
C2	0.000	0.774	-1.226
C3	0.000	-0.774	1.226
C4	0.000	-0.774	-1.226
O5	-0.693	-1.279	0.000
O6	0.693	1.279	0.000
H7	-1.040	1.156	1.240
H8	-1.040	1.156	-1.240
H9	1.040	-1.156	-1.240
H10	1.040	-1.156	1.240
H11	0.572	1.189	-2.070
H12	0.572	1.189	2.070
H13	-0.572	-1.189	-2.070
H14	-0.572	-1.189	2.070

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.4514	1.5486	2.8996	2.4895	1.4955	1.1075	2.7030	3.2993	2.1923	3.3709	1.1011	3.8788	2.2123
C2	2.4514		2.8996	1.5486	2.4895	1.4955	2.7030	1.1075	2.1923	3.2993	1.1011	3.3709	2.2123	3.8788
C3	1.5486	2.8996		2.4514	1.4955	2.4895	2.1923	3.2993	2.7030	1.1075	3.8788	2.2123	3.3709	1.1011
C4	2.8996	1.5486	2.4514		1.4955	2.4895	3.2993	2.1923	1.1075	2.7030	2.2123	3.8788	1.1011	3.3709
O5	2.4895	2.4895	1.4955	1.4955		2.9087	2.7541	2.7541	2.1339	2.1339	3.4604	3.4604	2.0759	2.0759
O6	1.4955	1.4955	2.4895	2.4895	2.9087		2.1339	2.1339	2.7541	2.7541	2.0759	2.0759	3.4604	3.4604
H7	1.1075	2.7030	2.1923	3.2993	2.7541	2.1339		2.4800	3.9770	3.1091	3.6820	1.8133	4.0834	2.5308
H8	2.7030	1.1075	3.2993	2.1923	2.7541	2.1339	2.4800		3.1091	3.9770	1.8133	3.6820	2.5308	4.0834
H9	3.2993	2.1923	2.7030	1.1075	2.1339	2.7541	3.9770	3.1091		2.4800	2.5308	4.0834	1.8133	3.6820
H10	2.1923	3.2993	1.1075	2.7030	2.1339	2.7541	3.1091	3.9770	2.4800		4.0834	2.5308	3.6820	1.8133
H11	3.3709	1.1011	3.8788	2.2123	3.4604	2.0759	3.6820	1.8133	2.5308	4.0834		4.1408	2.6384	4.9099
H12	1.1011	3.3709	2.2123	3.8788	3.4604	2.0759	1.8133	3.6820	4.0834	2.5308	4.1408		4.9099	2.6384
H13	3.8788	2.2123	3.3709	1.1011	2.0759	3.4604	4.0834	2.5308	1.8133	3.6820	2.6384	4.9099		4.1408
H14	2.2123	3.8788	1.1011	3.3709	2.0759	3.4604	2.5308	4.0834	3.6820	1.8133	4.9099	2.6384	4.1408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	109.718	C1	C3	H10	110.142
C1	C3	H14	112.110	C1	O6	C2	110.088
C2	C4	O5	109.718	C2	C4	H9	110.142
C2	C4	H13	112.110	C3	C1	O6	109.718
C3	C1	H7	110.142	C3	C1	H12	112.110
C3	O5	C4	110.088	C4	C2	O6	109.718
C4	C2	H8	110.142	C4	C2	H11	112.110
O5	C3	H10	109.213	O5	C3	H14	105.143
O5	C4	H9	109.213	O5	C4	H13	105.143
O6	C1	H7	109.213	O6	C1	H12	105.143
O6	C2	H8	109.213	O6	C2	H11	105.143
H7	C1	H12	110.373	H8	C2	H11	110.373
H9	C4	H13	110.373	H10	C3	H14	110.373

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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