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	hartrees
Energy at 0K	-233.692765
Energy at 298.15K
HF Energy	-232.223173
Nuclear repulsion energy	188.810048

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.663	0.000
O2	-1.273	-0.291	0.000
C3	0.000	0.323	0.000
C4	1.069	-0.756	0.000
C5	2.475	-0.155	0.000
H6	-3.257	0.119	0.000
H7	-2.265	1.303	0.891
H8	-2.265	1.303	-0.891
H9	0.107	0.967	0.888
H10	0.107	0.967	-0.888
H11	0.924	-1.390	-0.880
H12	0.924	-1.390	0.880
H13	2.638	0.468	0.884
H14	2.638	0.468	-0.884
H15	3.237	-0.938	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4102	2.3368	3.6663	4.8567	1.0897	1.0983	1.0983	2.5951	2.5951	3.9322	3.9322	5.0324	5.0324	5.7749
O2	1.4102		1.4134	2.3877	3.7510	2.0254	2.0778	2.0778	2.0680	2.0680	2.6099	2.6099	4.0814	4.0814	4.5560
C3	2.3368	1.4134		1.5186	2.5211	3.2629	2.6237	2.6237	1.1023	1.1023	2.1361	2.1361	2.7864	2.7864	3.4736
C4	3.6663	2.3877	1.5186		1.5294	4.4130	4.0180	4.0180	2.1635	2.1635	1.0943	1.0943	2.1779	2.1779	2.1755
C5	4.8567	3.7510	2.5211	1.5294		5.7385	5.0388	5.0388	2.7668	2.7668	2.1691	2.1691	1.0939	1.0939	1.0919
H6	1.0897	2.0254	3.2629	4.4130	5.7385		1.7827	1.7827	3.5809	3.5809	4.5313	4.5313	5.9711	5.9711	6.5788
H7	1.0983	2.0778	2.6237	4.0180	5.0388	1.7827		1.7828	2.3958	2.9844	4.5342	4.1739	4.9737	5.2811	6.0067
H8	1.0983	2.0778	2.6237	4.0180	5.0388	1.7827	1.7828		2.9844	2.3958	4.1739	4.5342	5.2811	4.9737	6.0067
H9	2.5951	2.0680	1.1023	2.1635	2.7668	3.5809	2.3958	2.9844		1.7763	3.0575	2.4945	2.5797	3.1297	3.7695
H10	2.5951	2.0680	1.1023	2.1635	2.7668	3.5809	2.9844	2.3958	1.7763		2.4945	3.0575	3.1297	2.5797	3.7695
H11	3.9322	2.6099	2.1361	1.0943	2.1691	4.5313	4.5342	4.1739	3.0575	2.4945		1.7598	3.0826	2.5281	2.5151
H12	3.9322	2.6099	2.1361	1.0943	2.1691	4.5313	4.1739	4.5342	2.4945	3.0575	1.7598		2.5281	3.0826	2.5151
H13	5.0324	4.0814	2.7864	2.1779	1.0939	5.9711	4.9737	5.2811	2.5797	3.1297	3.0826	2.5281		1.7679	1.7654
H14	5.0324	4.0814	2.7864	2.1779	1.0939	5.9711	5.2811	4.9737	3.1297	2.5797	2.5281	3.0826	1.7679		1.7654
H15	5.7749	4.5560	3.4736	2.1755	1.0919	6.5788	6.0067	6.0067	3.7695	3.7695	2.5151	2.5151	1.7654	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.705	O2	C1	H6	107.541
O2	C1	H7	111.247	O2	C1	H8	111.247
O2	C3	C4	108.995	O2	C3	H9	109.968
O2	C3	H10	109.968	C3	C4	C5	111.614
C3	C4	H11	108.592	C3	C4	H12	108.592
C4	C3	H9	110.268	C4	C3	H10	110.268
C4	C5	H13	111.155	C4	C5	H14	111.155
C4	C5	H15	111.081	C5	C4	H11	110.428
C5	C4	H12	110.428	H6	C1	H7	109.127
H6	C1	H8	109.127	H7	C1	H8	108.509
H9	C3	H10	107.362	H11	C4	H12	107.050
H13	C5	H14	107.813	H13	C5	H15	107.736
H14	C5	H15	107.736

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

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

States and conformations

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