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	hartrees
Energy at 0K	-232.170051
Energy at 298.15K
HF Energy	-232.227772
Nuclear repulsion energy	190.154436

Atom	x (Å)	y (Å)	z (Å)
C1	-2.290	0.676	0.000
O2	-1.268	-0.279	0.000
C3	0.000	0.319	0.000
C4	1.057	-0.758	0.000
C5	2.459	-0.173	0.000
H6	-3.236	0.150	0.000
H7	-2.242	1.313	0.884
H8	-2.242	1.313	-0.884
H9	0.117	0.957	0.880
H10	0.117	0.957	-0.880
H11	0.909	-1.387	-0.872
H12	0.909	-1.387	0.872
H13	2.624	0.446	0.877
H14	2.624	0.446	-0.877
H15	3.209	-0.956	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.3988	2.3180	3.6412	4.8245	1.0825	1.0909	1.0909	2.5779	2.5779	3.9054	3.9054	4.9971	4.9971	5.7366
O2	1.3988		1.4013	2.3733	3.7280	2.0148	2.0648	2.0648	2.0534	2.0534	2.5939	2.5939	4.0544	4.0544	4.5280
C3	2.3180	1.4013		1.5088	2.5077	3.2408	2.6067	2.6067	1.0931	1.0931	2.1206	2.1206	2.7695	2.7695	3.4532
C4	3.6412	2.3733	1.5088		1.5193	4.3881	3.9938	3.9938	2.1447	2.1447	1.0855	1.0855	2.1622	2.1622	2.1617
C5	4.8245	3.7280	2.5077	1.5193		5.7045	5.0086	5.0086	2.7456	2.7456	2.1530	2.1530	1.0864	1.0864	1.0841
H6	1.0825	2.0148	3.2408	4.3881	5.7045		1.7676	1.7676	3.5592	3.5592	4.5065	4.5065	5.9329	5.9329	6.5399
H7	1.0909	2.0648	2.6067	3.9938	5.0086	1.7676		1.7681	2.3849	2.9662	4.5059	4.1494	4.9421	5.2466	5.9701
H8	1.0909	2.0648	2.6067	3.9938	5.0086	1.7676	1.7681		2.9662	2.3849	4.1494	4.5059	5.2466	4.9421	5.9701
H9	2.5779	2.0534	1.0931	2.1447	2.7456	3.5592	2.3849	2.9662		1.7595	3.0319	2.4742	2.5589	3.1040	3.7414
H10	2.5779	2.0534	1.0931	2.1447	2.7456	3.5592	2.9662	2.3849	1.7595		2.4742	3.0319	3.1040	2.5589	3.7414
H11	3.9054	2.5939	2.1206	1.0855	2.1530	4.5065	4.5059	4.1494	3.0319	2.4742		1.7450	3.0595	2.5097	2.4976
H12	3.9054	2.5939	2.1206	1.0855	2.1530	4.5065	4.1494	4.5059	2.4742	3.0319	1.7450		2.5097	3.0595	2.4976
H13	4.9971	4.0544	2.7695	2.1622	1.0864	5.9329	4.9421	5.2466	2.5589	3.1040	3.0595	2.5097		1.7546	1.7540
H14	4.9971	4.0544	2.7695	2.1622	1.0864	5.9329	5.2466	4.9421	3.1040	2.5589	2.5097	3.0595	1.7546		1.7540
H15	5.7366	4.5280	3.4532	2.1617	1.0841	6.5399	5.9701	5.9701	3.7414	3.7414	2.4976	2.4976	1.7540	1.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.752	O2	C1	H6	107.910
O2	C1	H7	111.465	O2	C1	H8	111.465
O2	C3	C4	109.231	O2	C3	H9	110.199
O2	C3	H10	110.199	C3	C4	C5	111.817
C3	C4	H11	108.555	C3	C4	H12	108.555
C4	C3	H9	110.004	C4	C3	H10	110.004
C4	C5	H13	111.070	C4	C5	H14	111.070
C4	C5	H15	111.172	C5	C4	H11	110.387
C5	C4	H12	110.387	H6	C1	H7	108.834
H6	C1	H8	108.834	H7	C1	H8	108.270
H9	C3	H10	107.186	H11	C4	H12	106.989
H13	C5	H14	107.715	H13	C5	H15	107.828
H14	C5	H15	107.828

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

using model chemistry: MP3=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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