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	hartrees
Energy at 0K	-233.429109
Energy at 298.15K
HF Energy	-232.222965
Nuclear repulsion energy	188.718301

Atom	x (Å)	y (Å)	z (Å)
C1	-2.316	0.653	0.000
O2	-1.272	-0.299	0.000
C3	0.000	0.323	0.000
C4	1.073	-0.751	0.000
C5	2.476	-0.143	0.000
H6	-3.258	0.104	0.000
H7	-2.270	1.292	0.892
H8	-2.270	1.292	-0.892
H9	0.102	0.968	0.889
H10	0.102	0.968	-0.889
H11	0.931	-1.385	-0.880
H12	0.931	-1.385	0.880
H13	2.636	0.481	0.884
H14	2.636	0.481	-0.884
H15	3.242	-0.921	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4132	2.3398	3.6683	4.8582	1.0897	1.0984	1.0984	2.5956	2.5956	3.9337	3.9337	5.0336	5.0336	5.7768
O2	1.4132		1.4161	2.3879	3.7515	2.0263	2.0795	2.0795	2.0694	2.0694	2.6091	2.6091	4.0820	4.0820	4.5564
C3	2.3398	1.4161		1.5180	2.5197	3.2652	2.6245	2.6245	1.1025	1.1025	2.1356	2.1356	2.7847	2.7847	3.4725
C4	3.6683	2.3879	1.5180		1.5294	4.4141	4.0180	4.0180	2.1646	2.1646	1.0943	1.0943	2.1777	2.1777	2.1756
C5	4.8582	3.7515	2.5197	1.5294		5.7393	5.0381	5.0381	2.7677	2.7677	2.1695	2.1695	1.0938	1.0938	1.0919
H6	1.0897	2.0263	3.2652	4.4141	5.7393		1.7841	1.7841	3.5810	3.5810	4.5319	4.5319	5.9716	5.9716	6.5799
H7	1.0984	2.0795	2.6245	4.0180	5.0381	1.7841		1.7837	2.3941	2.9836	4.5339	4.1734	4.9726	5.2802	6.0063
H8	1.0984	2.0795	2.6245	4.0180	5.0381	1.7841	1.7837		2.9836	2.3941	4.1734	4.5339	5.2802	4.9726	6.0063
H9	2.5956	2.0694	1.1025	2.1646	2.7677	3.5810	2.3941	2.9836		1.7774	3.0583	2.4951	2.5803	3.1305	3.7706
H10	2.5956	2.0694	1.1025	2.1646	2.7677	3.5810	2.9836	2.3941	1.7774		2.4951	3.0583	3.1305	2.5803	3.7706
H11	3.9337	2.6091	2.1356	1.0943	2.1695	4.5319	4.5339	4.1734	3.0583	2.4951		1.7599	3.0828	2.5283	2.5159
H12	3.9337	2.6091	2.1356	1.0943	2.1695	4.5319	4.1734	4.5339	2.4951	3.0583	1.7599		2.5283	3.0828	2.5159
H13	5.0336	4.0820	2.7847	2.1777	1.0938	5.9716	4.9726	5.2802	2.5803	3.1305	3.0828	2.5283		1.7678	1.7652
H14	5.0336	4.0820	2.7847	2.1777	1.0938	5.9716	5.2802	4.9726	3.1305	2.5803	2.5283	3.0828	1.7678		1.7652
H15	5.7768	4.5564	3.4725	2.1756	1.0919	6.5799	6.0063	6.0063	3.7706	3.7706	2.5159	2.5159	1.7652	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.579	O2	C1	H6	107.408
O2	C1	H7	111.161	O2	C1	H8	111.161
O2	C3	C4	108.898	O2	C3	H9	109.874
O2	C3	H10	109.874	C3	C4	C5	111.551
C3	C4	H11	108.589	C3	C4	H12	108.589
C4	C3	H9	110.382	C4	C3	H10	110.382
C4	C5	H13	111.150	C4	C5	H14	111.150
C4	C5	H15	111.093	C5	C4	H11	110.462
C5	C4	H12	110.462	H6	C1	H7	109.249
H6	C1	H8	109.249	H7	C1	H8	108.579
H9	C3	H10	107.422	H11	C4	H12	107.053
H13	C5	H14	107.830	H13	C5	H15	107.727
H14	C5	H15	107.727

All results from a given calculation for C₄H₁₀O (Methyl propyl ether)

using model chemistry: MP4/6-311+G(3df,2p)

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 C4H10O (Methyl propyl ether)

using model chemistry: MP4/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₁₀O (Methyl propyl ether)