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	hartrees
Energy at 0K	-233.750927
Energy at 298.15K
HF Energy	-232.223790
Nuclear repulsion energy	189.207885

Atom	x (Å)	y (Å)	z (Å)
C1	-2.310	0.656	0.000
O2	-1.269	-0.286	0.000
C3	0.000	0.324	0.000
C4	1.067	-0.753	0.000
C5	2.472	-0.155	0.000
H6	-3.250	0.108	0.000
H7	-2.270	1.295	0.890
H8	-2.270	1.295	-0.890
H9	0.108	0.967	0.886
H10	0.108	0.967	-0.886
H11	0.923	-1.387	-0.878
H12	0.923	-1.387	0.878
H13	2.636	0.468	0.882
H14	2.636	0.468	-0.882
H15	3.232	-0.937	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4044	2.3341	3.6599	4.8505	1.0881	1.0965	1.0965	2.5943	2.5943	3.9244	3.9244	5.0278	5.0278	5.7663
O2	1.4044		1.4077	2.3823	3.7429	2.0204	2.0722	2.0722	2.0617	2.0617	2.6054	2.6054	4.0733	4.0733	4.5470
C3	2.3341	1.4077		1.5163	2.5178	3.2575	2.6242	2.6242	1.1001	1.1001	2.1332	2.1332	2.7833	2.7833	3.4688
C4	3.6599	2.3823	1.5163		1.5267	4.4027	4.0153	4.0153	2.1597	2.1597	1.0924	1.0924	2.1747	2.1747	2.1719
C5	4.8505	3.7429	2.5178	1.5267		5.7283	5.0375	5.0375	2.7625	2.7625	2.1651	2.1651	1.0923	1.0923	1.0903
H6	1.0881	2.0204	3.2575	4.4027	5.7283		1.7788	1.7788	3.5780	3.5780	4.5193	4.5193	5.9628	5.9628	6.5655
H7	1.0965	2.0722	2.6242	4.0153	5.0375	1.7788		1.7795	2.4001	2.9856	4.5293	4.1701	4.9747	5.2809	6.0030
H8	1.0965	2.0722	2.6242	4.0153	5.0375	1.7788	1.7795		2.9856	2.4001	4.1701	4.5293	5.2809	4.9747	6.0030
H9	2.5943	2.0617	1.1001	2.1597	2.7625	3.5780	2.4001	2.9856		1.7718	3.0525	2.4913	2.5766	3.1250	3.7638
H10	2.5943	2.0617	1.1001	2.1597	2.7625	3.5780	2.9856	2.4001	1.7718		2.4913	3.0525	3.1250	2.5766	3.7638
H11	3.9244	2.6054	2.1332	1.0924	2.1651	4.5193	4.5293	4.1701	3.0525	2.4913		1.7559	3.0776	2.5245	2.5102
H12	3.9244	2.6054	2.1332	1.0924	2.1651	4.5193	4.1701	4.5293	2.4913	3.0525	1.7559		2.5245	3.0776	2.5102
H13	5.0278	4.0733	2.7833	2.1747	1.0923	5.9628	4.9747	5.2809	2.5766	3.1250	3.0776	2.5245		1.7648	1.7626
H14	5.0278	4.0733	2.7833	2.1747	1.0923	5.9628	5.2809	4.9747	3.1250	2.5766	2.5245	3.0776	1.7648		1.7626
H15	5.7663	4.5470	3.4688	2.1719	1.0903	6.5655	6.0030	6.0030	3.7638	3.7638	2.5102	2.5102	1.7626	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.205	O2	C1	H6	107.630
O2	C1	H7	111.317	O2	C1	H8	111.317
O2	C3	C4	109.066	O2	C3	H9	109.987
O2	C3	H10	109.987	C3	C4	C5	111.668
C3	C4	H11	108.621	C3	C4	H12	108.621
C4	C3	H9	110.252	C4	C3	H10	110.252
C4	C5	H13	111.188	C4	C5	H14	111.188
C4	C5	H15	111.085	C5	C4	H11	110.411
C5	C4	H12	110.411	H6	C1	H7	109.028
H6	C1	H8	109.028	H7	C1	H8	108.473
H9	C3	H10	107.283	H11	C4	H12	106.966
H13	C5	H14	107.774	H13	C5	H15	107.720
H14	C5	H15	107.720

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

using model chemistry: CCSD/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: CCSD/6-311+G(3df,2p)

States and conformations

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