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	hartrees
Energy at 0K	-232.324405
Energy at 298.15K
HF Energy	-232.223554
Nuclear repulsion energy	189.197656

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	0.656	0.000
O2	-1.269	-0.293	0.000
C3	0.000	0.321	0.000
C4	1.069	-0.752	0.000
C5	2.470	-0.149	0.000
H6	-3.251	0.111	0.000
H7	-2.264	1.295	0.890
H8	-2.264	1.295	-0.890
H9	0.106	0.965	0.887
H10	0.106	0.965	-0.887
H11	0.925	-1.386	-0.878
H12	0.925	-1.386	0.878
H13	2.631	0.474	0.883
H14	2.631	0.474	-0.883
H15	3.233	-0.928	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4070	2.3330	3.6590	4.8458	1.0882	1.0969	1.0969	2.5915	2.5915	3.9242	3.9242	5.0217	5.0217	5.7635
O2	1.4070		1.4102	2.3827	3.7419	2.0225	2.0744	2.0744	2.0643	2.0643	2.6046	2.6046	4.0722	4.0722	4.5469
C3	2.3330	1.4102		1.5145	2.5141	3.2580	2.6207	2.6207	1.1009	1.1009	2.1314	2.1314	2.7795	2.7795	3.4658
C4	3.6590	2.3827	1.5145		1.5253	4.4052	4.0114	4.0114	2.1587	2.1587	1.0928	1.0928	2.1735	2.1735	2.1714
C5	4.8458	3.7419	2.5141	1.5253		5.7268	5.0288	5.0288	2.7591	2.7591	2.1649	2.1649	1.0924	1.0924	1.0904
H6	1.0882	2.0225	3.2580	4.4052	5.7268		1.7798	1.7798	3.5762	3.5762	4.5230	4.5230	5.9594	5.9594	6.5668
H7	1.0969	2.0744	2.6207	4.0114	5.0288	1.7798		1.7799	2.3937	2.9810	4.5266	4.1669	4.9640	5.2710	5.9961
H8	1.0969	2.0744	2.6207	4.0114	5.0288	1.7798	1.7799		2.9810	2.3937	4.1669	4.5266	5.2710	4.9640	5.9961
H9	2.5915	2.0643	1.1009	2.1587	2.7591	3.5762	2.3937	2.9810		1.7735	3.0519	2.4896	2.5721	3.1219	3.7608
H10	2.5915	2.0643	1.1009	2.1587	2.7591	3.5762	2.9810	2.3937	1.7735		2.4896	3.0519	3.1219	2.5721	3.7608
H11	3.9242	2.6046	2.1314	1.0928	2.1649	4.5230	4.5266	4.1669	3.0519	2.4896		1.7569	3.0776	2.5240	2.5112
H12	3.9242	2.6046	2.1314	1.0928	2.1649	4.5230	4.1669	4.5266	2.4896	3.0519	1.7569		2.5240	3.0776	2.5112
H13	5.0217	4.0722	2.7795	2.1735	1.0924	5.9594	4.9640	5.2710	2.5721	3.1219	3.0776	2.5240		1.7651	1.7625
H14	5.0217	4.0722	2.7795	2.1735	1.0924	5.9594	5.2710	4.9640	3.1219	2.5721	2.5240	3.0776	1.7651		1.7625
H15	5.7635	4.5469	3.4658	2.1714	1.0904	6.5668	5.9961	5.9961	3.7608	3.7608	2.5112	2.5112	1.7625	1.7625

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

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

States and conformations

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