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	hartrees
Energy at 0K	-306.752303
Energy at 298.15K	-306.763654
HF Energy	-305.823184
Nuclear repulsion energy	264.651923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3167	2972	0.00
2	A_g	3065	2876	0.00
3	A_g	1563	1467	0.00
4	A_g	1481	1390	0.00
5	A_g	1372	1287	0.00
6	A_g	1193	1120	0.00
7	A_g	1074	1008	0.00
8	A_g	886	831	0.00
9	A_g	453	425	0.00
10	A_g	436	409	0.00
11	A_u	3165	2970	74.73
12	A_u	3060	2871	35.63
13	A_u	1548	1452	0.19
14	A_u	1445	1355	32.61
15	A_u	1322	1240	46.40
16	A_u	1219	1144	148.10
17	A_u	1149	1079	4.65
18	A_u	935	877	21.74
19	A_u	262	246	1.53
20	B_g	3166	2971	0.00
21	B_g	3068	2878	0.00
22	B_g	1545	1450	0.00
23	B_g	1402	1316	0.00
24	B_g	1274	1196	0.00
25	B_g	1208	1133	0.00
26	B_g	899	844	0.00
27	B_g	495	465	0.00
28	B_u	3168	2972	52.34
29	B_u	3071	2882	126.65
30	B_u	1559	1462	10.14
31	B_u	1459	1369	3.96
32	B_u	1359	1275	9.95
33	B_u	1101	1033	11.63
34	B_u	935	878	66.17
35	B_u	630	592	15.23
36	B_u	286	268	23.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.761	1.167
C2	0.000	0.761	-1.167
C3	0.000	-0.761	1.167
C4	0.000	-0.761	-1.167
O5	-0.637	-1.252	0.000
O6	0.637	1.252	0.000
H7	-1.038	1.125	1.223
H8	-1.038	1.125	-1.223
H9	1.038	-1.125	-1.223
H10	1.038	-1.125	1.223
H11	0.558	1.156	-2.021
H12	0.558	1.156	2.021
H13	-0.558	-1.156	-2.021
H14	-0.558	-1.156	2.021

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.3340	1.5214	2.7861	2.4125	1.4174	1.1017	2.6310	3.2164	2.1533	3.2605	1.0941	3.7616	2.1715
C2	2.3340		2.7861	1.5214	2.4125	1.4174	2.6310	1.1017	2.1533	3.2164	1.0941	3.2605	2.1715	3.7616
C3	1.5214	2.7861		2.3340	1.4174	2.4125	2.1533	3.2164	2.6310	1.1017	3.7616	2.1715	3.2605	1.0941
C4	2.7861	1.5214	2.3340		1.4174	2.4125	3.2164	2.1533	1.1017	2.6310	2.1715	3.7616	1.0941	3.2605
O5	2.4125	2.4125	1.4174	1.4174		2.8099	2.7035	2.7035	2.0777	2.0777	3.3635	3.3635	2.0248	2.0248
O6	1.4174	1.4174	2.4125	2.4125	2.8099		2.0777	2.0777	2.7035	2.7035	2.0248	2.0248	3.3635	3.3635
H7	1.1017	2.6310	2.1533	3.2164	2.7035	2.0777		2.4457	3.9186	3.0616	3.6154	1.7847	3.9947	2.4641
H8	2.6310	1.1017	3.2164	2.1533	2.7035	2.0777	2.4457		3.0616	3.9186	1.7847	3.6154	2.4641	3.9947
H9	3.2164	2.1533	2.6310	1.1017	2.0777	2.7035	3.9186	3.0616		2.4457	2.4641	3.9947	1.7847	3.6154
H10	2.1533	3.2164	1.1017	2.6310	2.0777	2.7035	3.0616	3.9186	2.4457		3.9947	2.4641	3.6154	1.7847
H11	3.2605	1.0941	3.7616	2.1715	3.3635	2.0248	3.6154	1.7847	2.4641	3.9947		4.0420	2.5676	4.7886
H12	1.0941	3.2605	2.1715	3.7616	3.3635	2.0248	1.7847	3.6154	3.9947	2.4641	4.0420		4.7886	2.5676
H13	3.7616	2.1715	3.2605	1.0941	2.0248	3.3635	3.9947	2.4641	1.7847	3.6154	2.5676	4.7886		4.0420
H14	2.1715	3.7616	1.0941	3.2605	2.0248	3.3635	2.4641	3.9947	3.6154	1.7847	4.7886	2.5676	4.0420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	110.299	C1	C3	H10	109.310
C1	C3	H14	111.197	C1	O6	C2	110.840
C2	C4	O5	110.299	C2	C4	H9	109.310
C2	C4	H13	111.197	C3	C1	O6	110.299
C3	C1	H7	109.310	C3	C1	H12	111.197
C3	O5	C4	110.840	C4	C2	O6	110.299
C4	C2	H8	109.310	C4	C2	H11	111.197
O5	C3	H10	110.508	O5	C3	H14	106.751
O5	C4	H9	110.508	O5	C4	H13	106.751
O6	C1	H7	110.508	O6	C1	H12	106.751
O6	C2	H8	110.508	O6	C2	H11	106.751
H7	C1	H12	108.744	H8	C2	H11	108.744
H9	C4	H13	108.744	H10	C3	H14	108.744

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C4H8O2 (1,4-Dioxane)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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