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	hartrees
Energy at 0K	-233.685412
Energy at 298.15K
HF Energy	-232.220025
Nuclear repulsion energy	188.535177

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.673	0.000
O2	-1.278	-0.295	0.000
C3	0.000	0.321	0.000
C4	1.070	-0.758	0.000
C5	2.478	-0.158	0.000
H6	-3.260	0.134	0.000
H7	-2.261	1.311	0.893
H8	-2.261	1.311	-0.893
H9	0.110	0.962	0.890
H10	0.110	0.962	-0.890
H11	0.927	-1.389	-0.883
H12	0.927	-1.389	0.883
H13	2.640	0.465	0.885
H14	2.640	0.465	-0.885
H15	3.238	-0.943	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4156	2.3384	3.6717	4.8610	1.0908	1.0992	1.0992	2.5965	2.5965	3.9395	3.9395	5.0344	5.0344	5.7803
O2	1.4156		1.4186	2.3933	3.7585	2.0276	2.0837	2.0837	2.0735	2.0735	2.6154	2.6154	4.0881	4.0881	4.5626
C3	2.3384	1.4186		1.5189	2.5235	3.2654	2.6248	2.6248	1.1025	1.1025	2.1356	2.1356	2.7881	2.7881	3.4759
C4	3.6717	2.3933	1.5189		1.5305	4.4208	4.0212	4.0212	2.1611	2.1611	1.0946	1.0946	2.1783	2.1783	2.1761
C5	4.8610	3.7585	2.5235	1.5305		5.7453	5.0406	5.0406	2.7660	2.7660	2.1679	2.1679	1.0948	1.0948	1.0931
H6	1.0908	2.0276	3.2654	4.4208	5.7453		1.7843	1.7843	3.5830	3.5830	4.5421	4.5421	5.9752	5.9752	6.5868
H7	1.0992	2.0837	2.6248	4.0212	5.0406	1.7843		1.7864	2.3965	2.9869	4.5395	4.1776	4.9728	5.2813	6.0096
H8	1.0992	2.0837	2.6248	4.0212	5.0406	1.7843	1.7864		2.9869	2.3965	4.1776	4.5395	5.2813	4.9728	6.0096
H9	2.5965	2.0735	1.1025	2.1611	2.7660	3.5830	2.3965	2.9869		1.7794	3.0556	2.4890	2.5778	3.1298	3.7689
H10	2.5965	2.0735	1.1025	2.1611	2.7660	3.5830	2.9869	2.3965	1.7794		2.4890	3.0556	3.1298	2.5778	3.7689
H11	3.9395	2.6154	2.1356	1.0946	2.1679	4.5421	4.5395	4.1776	3.0556	2.4890		1.7657	3.0820	2.5243	2.5136
H12	3.9395	2.6154	2.1356	1.0946	2.1679	4.5421	4.1776	4.5395	2.4890	3.0556	1.7657		2.5243	3.0820	2.5136
H13	5.0344	4.0881	2.7881	2.1783	1.0948	5.9752	4.9728	5.2813	2.5778	3.1298	3.0820	2.5243		1.7708	1.7682
H14	5.0344	4.0881	2.7881	2.1783	1.0948	5.9752	5.2813	4.9728	3.1298	2.5778	2.5243	3.0820	1.7708		1.7682
H15	5.7803	4.5626	3.4759	2.1761	1.0931	6.5868	6.0096	6.0096	3.7689	3.7689	2.5136	2.5136	1.7682	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.197	O2	C1	H6	107.286
O2	C1	H7	111.286	O2	C1	H8	111.286
O2	C3	C4	109.078	O2	C3	H9	110.034
O2	C3	H10	110.034	C3	C4	C5	111.697
C3	C4	H11	108.510	C3	C4	H12	108.510
C4	C3	H9	110.041	C4	C3	H10	110.041
C4	C5	H13	111.056	C4	C5	H14	111.056
C4	C5	H15	110.984	C5	C4	H11	110.243
C5	C4	H12	110.243	H6	C1	H7	109.121
H6	C1	H8	109.121	H7	C1	H8	108.693
H9	C3	H10	107.602	H11	C4	H12	107.519
H13	C5	H14	107.942	H13	C5	H15	107.828
H14	C5	H15	107.828

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

using model chemistry: CCSD(T)/TZVP

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)/TZVP

States and conformations

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