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	hartrees
Energy at 0K	-232.918446
Energy at 298.15K
HF Energy	-232.166978
Nuclear repulsion energy	187.254457

Atom	x (Å)	y (Å)	z (Å)
C1	-2.329	0.663	0.000
O2	-1.283	-0.305	0.000
C3	0.000	0.324	0.000
C4	1.080	-0.756	0.000
C5	2.492	-0.144	0.000
H6	-3.283	0.112	0.000
H7	-2.278	1.307	0.902
H8	-2.278	1.307	-0.902
H9	0.101	0.974	0.898
H10	0.101	0.974	-0.898
H11	0.938	-1.396	-0.890
H12	0.938	-1.396	0.890
H13	2.653	0.486	0.894
H14	2.653	0.486	-0.894
H15	3.264	-0.932	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4256	2.3540	3.6927	4.8881	1.1013	1.1097	1.1097	2.6101	2.6101	3.9630	3.9630	5.0654	5.0654	5.8166
O2	1.4256		1.4288	2.4052	3.7778	2.0434	2.0987	2.0987	2.0875	2.0875	2.6292	2.6292	4.1132	4.1132	4.5900
C3	2.3540	1.4288		1.5272	2.5351	3.2900	2.6402	2.6402	1.1129	1.1129	2.1517	2.1517	2.8046	2.8046	3.4976
C4	3.6927	2.4052	1.5272		1.5387	4.4485	4.0432	4.0432	2.1806	2.1806	1.1053	1.1053	2.1951	2.1951	2.1915
C5	4.8881	3.7778	2.5351	1.5387		5.7804	5.0666	5.0666	2.7870	2.7870	2.1849	2.1849	1.1057	1.1057	1.1037
H6	1.1013	2.0434	3.2900	4.4485	5.7804		1.8035	1.8035	3.6062	3.6062	4.5697	4.5697	6.0151	6.0151	6.6301
H7	1.1097	2.0987	2.6402	4.0432	5.0666	1.8035		1.8036	2.4031	3.0023	4.5674	4.2013	4.9995	5.3122	6.0455
H8	1.1097	2.0987	2.6402	4.0432	5.0666	1.8035	1.8036		3.0023	2.4031	4.2013	4.5674	5.3122	4.9995	6.0455
H9	2.6101	2.0875	1.1129	2.1806	2.7870	3.6062	2.4031	3.0023		1.7958	3.0839	2.5128	2.5979	3.1559	3.8001
H10	2.6101	2.0875	1.1129	2.1806	2.7870	3.6062	3.0023	2.4031	1.7958		2.5128	3.0839	3.1559	2.5979	3.8001
H11	3.9630	2.6292	2.1517	1.1053	2.1849	4.5697	4.5674	4.2013	3.0839	2.5128		1.7799	3.1093	2.5467	2.5336
H12	3.9630	2.6292	2.1517	1.1053	2.1849	4.5697	4.2013	4.5674	2.5128	3.0839	1.7799		2.5467	3.1093	2.5336
H13	5.0654	4.1132	2.8046	2.1951	1.1057	6.0151	4.9995	5.3122	2.5979	3.1559	3.1093	2.5467		1.7879	1.7844
H14	5.0654	4.1132	2.8046	2.1951	1.1057	6.0151	5.3122	4.9995	3.1559	2.5979	2.5467	3.1093	1.7879		1.7844
H15	5.8166	4.5900	3.4976	2.1915	1.1037	6.6301	6.0455	6.0455	3.8001	3.8001	2.5336	2.5336	1.7844	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.115	O2	C1	H6	107.229
O2	C1	H7	111.133	O2	C1	H8	111.133
O2	C3	C4	108.869	O2	C3	H9	109.812
O2	C3	H10	109.812	C3	C4	C5	111.555
C3	C4	H11	108.577	C3	C4	H12	108.577
C4	C3	H9	110.384	C4	C3	H10	110.384
C4	C5	H13	111.160	C4	C5	H14	111.160
C4	C5	H15	110.993	C5	C4	H11	110.376
C5	C4	H12	110.376	H6	C1	H7	109.303
H6	C1	H8	109.303	H7	C1	H8	108.706
H9	C3	H10	107.571	H11	C4	H12	107.253
H13	C5	H14	107.900	H13	C5	H15	107.735
H14	C5	H15	107.735

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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)=FULL/aug-cc-pVDZ

States and conformations

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