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	hartrees
Energy at 0K	-233.713394
Energy at 298.15K
HF Energy	-232.227255
Nuclear repulsion energy	189.277864

Atom	x (Å)	y (Å)	z (Å)
C1	-2.304	0.667	0.000
O2	-1.271	-0.286	0.000
C3	0.000	0.322	0.000
C4	1.064	-0.756	0.000
C5	2.470	-0.164	0.000
H6	-3.249	0.130	0.000
H7	-2.259	1.307	0.889
H8	-2.259	1.307	-0.889
H9	0.112	0.965	0.884
H10	0.112	0.965	-0.884
H11	0.918	-1.389	-0.877
H12	0.918	-1.389	0.877
H13	2.635	0.459	0.881
H14	2.635	0.459	-0.881
H15	3.227	-0.947	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4057	2.3298	3.6569	4.8457	1.0874	1.0959	1.0959	2.5896	2.5896	3.9218	3.9218	5.0213	5.0213	5.7620
O2	1.4057		1.4089	2.3821	3.7427	2.0216	2.0745	2.0745	2.0634	2.0634	2.6034	2.6034	4.0726	4.0726	4.5465
C3	2.3298	1.4089		1.5153	2.5171	3.2551	2.6196	2.6196	1.0989	1.0989	2.1310	2.1310	2.7817	2.7817	3.4677
C4	3.6569	2.3821	1.5153		1.5255	4.4037	4.0115	4.0115	2.1571	2.1571	1.0913	1.0913	2.1726	2.1726	2.1713
C5	4.8457	3.7427	2.5171	1.5255		5.7267	5.0312	5.0312	2.7598	2.7598	2.1633	2.1633	1.0915	1.0915	1.0895
H6	1.0874	2.0216	3.2551	4.4037	5.7267		1.7767	1.7767	3.5743	3.5743	4.5215	4.5215	5.9589	5.9589	6.5655
H7	1.0959	2.0745	2.6196	4.0115	5.0312	1.7767		1.7770	2.3950	2.9798	4.5256	4.1671	4.9667	5.2726	5.9973
H8	1.0959	2.0745	2.6196	4.0115	5.0312	1.7767	1.7770		2.9798	2.3950	4.1671	4.5256	5.2726	4.9667	5.9973
H9	2.5896	2.0634	1.0989	2.1571	2.7598	3.5743	2.3950	2.9798		1.7686	3.0488	2.4887	2.5735	3.1210	3.7608
H10	2.5896	2.0634	1.0989	2.1571	2.7598	3.5743	2.9798	2.3950	1.7686		2.4887	3.0488	3.1210	2.5735	3.7608
H11	3.9218	2.6034	2.1310	1.0913	2.1633	4.5215	4.5256	4.1671	3.0488	2.4887		1.7538	3.0749	2.5226	2.5096
H12	3.9218	2.6034	2.1310	1.0913	2.1633	4.5215	4.1671	4.5256	2.4887	3.0488	1.7538		2.5226	3.0749	2.5096
H13	5.0213	4.0726	2.7817	2.1726	1.0915	5.9589	4.9667	5.2726	2.5735	3.1210	3.0749	2.5226		1.7628	1.7616
H14	5.0213	4.0726	2.7817	2.1726	1.0915	5.9589	5.2726	4.9667	3.1210	2.5735	2.5226	3.0749	1.7628		1.7616
H15	5.7620	4.5465	3.4677	2.1713	1.0895	6.5655	5.9973	5.9973	3.7608	3.7608	2.5096	2.5096	1.7616	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.739	O2	C1	H6	107.683
O2	C1	H7	111.447	O2	C1	H8	111.447
O2	C3	C4	109.047	O2	C3	H9	110.121
O2	C3	H10	110.121	C3	C4	C5	111.740
C3	C4	H11	108.584	C3	C4	H12	108.584
C4	C3	H9	110.187	C4	C3	H10	110.187
C4	C5	H13	111.155	C4	C5	H14	111.155
C4	C5	H15	111.172	C5	C4	H11	110.424
C5	C4	H12	110.424	H6	C1	H7	108.935
H6	C1	H8	108.935	H7	C1	H8	108.339
H9	C3	H10	107.164	H11	C4	H12	106.935
H13	C5	H14	107.710	H13	C5	H15	107.740
H14	C5	H15	107.740

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

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

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