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	hartrees
Energy at 0K	-233.432007
Energy at 298.15K
HF Energy	-232.227092
Nuclear repulsion energy	189.512229

Atom	x (Å)	y (Å)	z (Å)
C1	-2.300	0.666	0.000
O2	-1.270	-0.296	0.000
C3	0.000	0.320	0.000
C4	1.065	-0.751	0.000
C5	2.465	-0.155	0.000
H6	-3.247	0.135	0.000
H7	-2.249	1.304	0.887
H8	-2.249	1.304	-0.887
H9	0.108	0.961	0.884
H10	0.108	0.961	-0.884
H11	0.920	-1.382	-0.876
H12	0.920	-1.382	0.876
H13	2.625	0.466	0.880
H14	2.625	0.466	-0.880
H15	3.223	-0.935	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4096	2.3260	3.6512	4.8350	1.0857	1.0942	1.0942	2.5823	2.5823	3.9157	3.9157	5.0070	5.0070	5.7502
O2	1.4096		1.4118	2.3789	3.7375	2.0228	2.0752	2.0752	2.0643	2.0643	2.5969	2.5969	4.0655	4.0655	4.5382
C3	2.3260	1.4118		1.5103	2.5100	3.2519	2.6101	2.6101	1.0970	1.0970	2.1238	2.1238	2.7724	2.7724	3.4584
C4	3.6512	2.3789	1.5103		1.5216	4.4014	3.9989	3.9989	2.1509	2.1509	1.0888	1.0888	2.1660	2.1660	2.1659
C5	4.8350	3.7375	2.5100	1.5216		5.7186	5.0132	5.0132	2.7528	2.7528	2.1582	2.1582	1.0894	1.0894	1.0874
H6	1.0857	2.0228	3.2519	4.4014	5.7186		1.7753	1.7753	3.5665	3.5665	4.5200	4.5200	5.9464	5.9464	6.5573
H7	1.0942	2.0752	2.6101	3.9989	5.0132	1.7753		1.7748	2.3819	2.9683	4.5130	4.1544	4.9450	5.2515	5.9781
H8	1.0942	2.0752	2.6101	3.9989	5.0132	1.7753	1.7748		2.9683	2.3819	4.1544	4.5130	5.2515	4.9450	5.9781
H9	2.5823	2.0643	1.0970	2.1509	2.7528	3.5665	2.3819	2.9683		1.7675	3.0403	2.4796	2.5646	3.1127	3.7514
H10	2.5823	2.0643	1.0970	2.1509	2.7528	3.5665	2.9683	2.3819	1.7675		2.4796	3.0403	3.1127	2.5646	3.7514
H11	3.9157	2.5969	2.1238	1.0888	2.1582	4.5200	4.5130	4.1544	3.0403	2.4796		1.7510	3.0670	2.5147	2.5039
H12	3.9157	2.5969	2.1238	1.0888	2.1582	4.5200	4.1544	4.5130	2.4796	3.0403	1.7510		2.5147	3.0670	2.5039
H13	5.0070	4.0655	2.7724	2.1660	1.0894	5.9464	4.9450	5.2515	2.5646	3.1127	3.0670	2.5147		1.7605	1.7592
H14	5.0070	4.0655	2.7724	2.1660	1.0894	5.9464	5.2515	4.9450	3.1127	2.5646	2.5147	3.0670	1.7605		1.7592
H15	5.7502	4.5382	3.4584	2.1659	1.0874	6.5573	5.9781	5.9781	3.7514	3.7514	2.5039	2.5039	1.7592	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.060	O2	C1	H6	107.617
O2	C1	H7	111.336	O2	C1	H8	111.336
O2	C3	C4	108.950	O2	C3	H9	110.113
O2	C3	H10	110.113	C3	C4	C5	111.761
C3	C4	H11	108.508	C3	C4	H12	108.508
C4	C3	H9	110.160	C4	C3	H10	110.160
C4	C5	H13	111.031	C4	C5	H14	111.031
C4	C5	H15	111.146	C5	C4	H11	110.436
C5	C4	H12	110.436	H6	C1	H7	109.059
H6	C1	H8	109.059	H7	C1	H8	108.386
H9	C3	H10	107.336	H11	C4	H12	107.045
H13	C5	H14	107.801	H13	C5	H15	107.840
H14	C5	H15	107.840

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

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