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	hartrees
Energy at 0K	-233.688558
Energy at 298.15K
HF Energy	-232.167335
Nuclear repulsion energy	188.798738

Atom	x (Å)	y (Å)	z (Å)
C1	-2.304	0.677	0.000
O2	-1.272	-0.283	0.000
C3	0.000	0.331	0.000
C4	1.059	-0.761	0.000
C5	2.476	-0.180	0.000
H6	-3.253	0.138	0.000
H7	-2.258	1.321	0.891
H8	-2.258	1.321	-0.891
H9	0.115	0.976	0.887
H10	0.115	0.976	-0.887
H11	0.904	-1.394	-0.880
H12	0.904	-1.394	0.880
H13	2.648	0.442	0.884
H14	2.648	0.442	-0.884
H15	3.227	-0.974	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4094	2.3296	3.6572	4.8554	1.0920	1.1001	1.1001	2.5939	2.5939	3.9183	3.9183	5.0350	5.0350	5.7717
O2	1.4094		1.4119	2.3791	3.7487	2.0257	2.0831	2.0831	2.0729	2.0729	2.5967	2.5967	4.0827	4.0827	4.5513
C3	2.3296	1.4119		1.5209	2.5276	3.2589	2.6220	2.6220	1.1035	1.1035	2.1369	2.1369	2.7935	2.7935	3.4806
C4	3.6572	2.3791	1.5209		1.5314	4.4048	4.0166	4.0166	2.1672	2.1672	1.0951	1.0951	2.1805	2.1805	2.1784
C5	4.8554	3.7487	2.5276	1.5314		5.7376	5.0454	5.0454	2.7740	2.7740	2.1724	2.1724	1.0948	1.0948	1.0933
H6	1.0920	2.0257	3.2589	4.4048	5.7376		1.7841	1.7841	3.5829	3.5829	4.5170	4.5170	5.9744	5.9744	6.5747
H7	1.1001	2.0831	2.6220	4.0166	5.0454	1.7841		1.7819	2.3986	2.9859	4.5286	4.1679	4.9839	5.2906	6.0123
H8	1.1001	2.0831	2.6220	4.0166	5.0454	1.7841	1.7819		2.9859	2.3986	4.1679	4.5286	5.2906	4.9839	6.0123
H9	2.5939	2.0729	1.1035	2.1672	2.7740	3.5829	2.3986	2.9859		1.7749	3.0603	2.4982	2.5879	3.1363	3.7779
H10	2.5939	2.0729	1.1035	2.1672	2.7740	3.5829	2.9859	2.3986	1.7749		2.4982	3.0603	3.1363	2.5879	3.7779
H11	3.9183	2.5967	2.1369	1.0951	2.1724	4.5170	4.5286	4.1679	3.0603	2.4982		1.7603	3.0865	2.5324	2.5193
H12	3.9183	2.5967	2.1369	1.0951	2.1724	4.5170	4.1679	4.5286	2.4982	3.0603	1.7603		2.5324	3.0865	2.5193
H13	5.0350	4.0827	2.7935	2.1805	1.0948	5.9744	4.9839	5.2906	2.5879	3.1363	3.0865	2.5324		1.7686	1.7675
H14	5.0350	4.0827	2.7935	2.1805	1.0948	5.9744	5.2906	4.9839	3.1363	2.5879	2.5324	3.0865	1.7686		1.7675
H15	5.7717	4.5513	3.4806	2.1784	1.0933	6.5747	6.0123	6.0123	3.7779	3.7779	2.5193	2.5193	1.7675	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.318	O2	C1	H6	107.479
O2	C1	H7	111.619	O2	C1	H8	111.619
O2	C3	C4	108.369	O2	C3	H9	110.384
O2	C3	H10	110.384	C3	C4	C5	111.808
C3	C4	H11	108.447	C3	C4	H12	108.447
C4	C3	H9	110.321	C4	C3	H10	110.321
C4	C5	H13	111.164	C4	C5	H14	111.164
C4	C5	H15	111.089	C5	C4	H11	110.505
C5	C4	H12	110.505	H6	C1	H7	108.951
H6	C1	H8	108.951	H7	C1	H8	108.165
H9	C3	H10	107.069	H11	C4	H12	106.971
H13	C5	H14	107.743	H13	C5	H15	107.758
H14	C5	H15	107.758

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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)/6-31G(2df,p)

States and conformations

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