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	hartrees
Energy at 0K	-306.804966
Energy at 298.15K
HF Energy	-305.844765
Nuclear repulsion energy	265.384640

Atom	x (Å)	y (Å)	z (Å)
C1	-0.614	-1.207	0.000
O2	0.014	-0.761	1.170
O3	0.014	-0.761	-1.170
C4	0.014	0.657	1.239
C5	0.014	0.657	-1.239
C6	0.683	1.248	0.000
H7	-0.553	-2.290	0.000
H8	-1.670	-0.889	0.000
H9	0.545	0.923	2.150
H10	-1.015	1.032	1.320
H11	0.545	0.923	-2.150
H12	-1.015	1.032	-1.320
H13	1.739	0.979	0.000
H14	0.604	2.336	0.000

	C1	O2	O3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4007	1.4007	2.3242	2.3242	2.7765	1.0855	1.1031	3.2407	2.6294	3.2407	2.6294	3.2111	3.7464
O2	1.4007		2.3397	1.4195	2.7952	2.4194	2.0074	2.0550	2.0197	2.0727	3.7605	3.2365	2.7145	3.3631
O3	1.4007	2.3397		2.7952	1.4195	2.4194	2.0074	2.0550	3.7605	3.2365	2.0197	2.0727	2.7145	3.3631
C4	2.3242	1.4195	2.7952		2.4781	1.5273	3.2470	2.6002	1.0874	1.0986	3.4409	2.7842	2.1477	2.1689
C5	2.3242	2.7952	1.4195	2.4781		1.5273	3.2470	2.6002	3.4409	2.7842	1.0874	1.0986	2.1477	2.1689
C6	2.7765	2.4194	2.4194	1.5273	1.5273		3.7485	3.1788	2.1791	2.1621	2.1791	2.1621	1.0895	1.0910
H7	1.0855	2.0074	2.0074	3.2470	3.2470	3.7485		1.7924	4.0195	3.6045	4.0195	3.6045	3.9925	4.7693
H8	1.1031	2.0550	2.0550	2.6002	2.6002	3.1788	1.7924		3.5794	2.4207	3.5794	2.4207	3.8869	3.9461
H9	3.2407	2.0197	3.7605	1.0874	3.4409	2.1791	4.0195	3.5794		1.7701	4.3005	3.8067	2.4602	2.5738
H10	2.6294	2.0727	3.2365	1.0986	2.7842	2.1621	3.6045	2.4207	1.7701		3.8067	2.6409	3.0545	2.4631
H11	3.2407	3.7605	2.0197	3.4409	1.0874	2.1791	4.0195	3.5794	4.3005	3.8067		1.7701	2.4602	2.5738
H12	2.6294	3.2365	2.0727	2.7842	1.0986	2.1621	3.6045	2.4207	3.8067	2.6409	1.7701		3.0545	2.4631
H13	3.2111	2.7145	2.7145	2.1477	2.1477	1.0895	3.9925	3.8869	2.4602	3.0545	2.4602	3.0545		1.7697
H14	3.7464	3.3631	3.3631	2.1689	2.1689	1.0910	4.7693	3.9461	2.5738	2.4631	2.5738	2.4631	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C4	111.002	C1	O3	C5	111.002
O2	C1	O3	113.272	O2	C1	H7	107.004
O2	C1	H8	109.749	O2	C4	C6	110.325
O2	C4	H9	106.594	O2	C4	H10	110.148
O3	C1	H7	107.004	O3	C1	H8	109.749
O3	C5	C6	110.325	O3	C5	H11	106.594
O3	C5	H12	110.148	C4	C6	C5	108.445
C4	C6	H13	109.172	C4	C6	H14	110.758
C5	C6	H13	109.172	C5	C6	H14	110.758
C6	C4	H9	111.797	C6	C4	H10	109.771
C6	C5	H11	111.797	C6	C5	H12	109.771
H7	C1	H8	109.967	H9	C4	H10	108.138
H11	C5	H12	108.138	H13	C6	H14	108.507

All results from a given calculation for C₄H₈O₂ (1,3-Dioxane)

using model chemistry: MP3/6-31+G**

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 (1,3-Dioxane)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₈O₂ (1,3-Dioxane)