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	hartrees
Energy at 0K	-232.224835
Energy at 298.15K
HF Energy	-232.235534
Nuclear repulsion energy	189.758791

Atom	x (Å)	y (Å)	z (Å)
C1	-2.296	0.676	0.000
O2	-1.271	-0.280	0.000
C3	0.000	0.319	0.000
C4	1.060	-0.761	0.000
C5	2.464	-0.170	0.000
H6	-3.241	0.147	0.000
H7	-2.245	1.313	0.886
H8	-2.245	1.313	-0.886
H9	0.114	0.958	0.881
H10	0.114	0.958	-0.881
H11	0.914	-1.391	-0.874
H12	0.914	-1.391	0.874
H13	2.628	0.449	0.879
H14	2.628	0.449	-0.879
H15	3.217	-0.952	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4019	2.3235	3.6505	4.8345	1.0835	1.0919	1.0919	2.5815	2.5815	3.9163	3.9163	5.0067	5.0067	5.7480
O2	1.4019		1.4046	2.3796	3.7362	2.0163	2.0667	2.0667	2.0561	2.0561	2.6018	2.6018	4.0624	4.0624	4.5374
C3	2.3235	1.4046		1.5130	2.5120	3.2457	2.6103	2.6103	1.0950	1.0950	2.1263	2.1263	2.7741	2.7741	3.4587
C4	3.6505	2.3796	1.5130		1.5233	4.3958	4.0011	4.0011	2.1511	2.1511	1.0874	1.0874	2.1671	2.1671	2.1652
C5	4.8345	3.7362	2.5120	1.5233		5.7140	5.0160	5.0160	2.7518	2.7518	2.1582	2.1582	1.0877	1.0877	1.0856
H6	1.0835	2.0163	3.2457	4.3958	5.7140		1.7708	1.7708	3.5627	3.5627	4.5157	4.5157	5.9423	5.9423	6.5507
H7	1.0919	2.0667	2.6103	4.0011	5.0160	1.7708		1.7710	2.3858	2.9688	4.5150	4.1579	4.9491	5.2542	5.9790
H8	1.0919	2.0667	2.6103	4.0011	5.0160	1.7708	1.7710		2.9688	2.3858	4.1579	4.5150	5.2542	4.9491	5.9790
H9	2.5815	2.0561	1.0950	2.1511	2.7518	3.5627	2.3858	2.9688		1.7627	3.0397	2.4813	2.5649	3.1107	3.7488
H10	2.5815	2.0561	1.0950	2.1511	2.7518	3.5627	2.9688	2.3858	1.7627		2.4813	3.0397	3.1107	2.5649	3.7488
H11	3.9163	2.6018	2.1263	1.0874	2.1582	4.5157	4.5150	4.1579	3.0397	2.4813		1.7488	3.0657	2.5149	2.5020
H12	3.9163	2.6018	2.1263	1.0874	2.1582	4.5157	4.1579	4.5150	2.4813	3.0397	1.7488		2.5149	3.0657	2.5020
H13	5.0067	4.0624	2.7741	2.1671	1.0877	5.9423	4.9491	5.2542	2.5649	3.1107	3.0657	2.5149		1.7577	1.7562
H14	5.0067	4.0624	2.7741	2.1671	1.0877	5.9423	5.2542	4.9491	3.1107	2.5649	2.5149	3.0657	1.7577		1.7562
H15	5.7480	4.5374	3.4587	2.1652	1.0856	6.5507	5.9790	5.9790	3.7488	3.7488	2.5020	2.5020	1.7562	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.768	O2	C1	H6	107.753
O2	C1	H7	111.339	O2	C1	H8	111.339
O2	C3	C4	109.242	O2	C3	H9	110.075
O2	C3	H10	110.075	C3	C4	C5	111.651
C3	C4	H11	108.605	C3	C4	H12	108.605
C4	C3	H9	110.112	C4	C3	H10	110.112
C4	C5	H13	111.092	C4	C5	H14	111.092
C4	C5	H15	111.074	C5	C4	H11	110.396
C5	C4	H12	110.396	H6	C1	H7	108.986
H6	C1	H8	108.986	H7	C1	H8	108.387
H9	C3	H10	107.207	H11	C4	H12	107.049
H13	C5	H14	107.797	H13	C5	H15	107.816
H14	C5	H15	107.816

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

using model chemistry: MP3=FULL/Def2TZVPP

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: MP3=FULL/Def2TZVPP

States and conformations

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