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	hartrees
Energy at 0K	-233.752487
Energy at 298.15K
HF Energy	-232.226596
Nuclear repulsion energy	188.849131

Atom	x (Å)	y (Å)	z (Å)
C1	-2.306	0.673	0.000
O2	-1.275	-0.292	0.000
C3	0.000	0.322	0.000
C4	1.066	-0.758	0.000
C5	2.474	-0.163	0.000
H6	-3.256	0.139	0.000
H7	-2.255	1.313	0.890
H8	-2.255	1.313	-0.890
H9	0.110	0.966	0.887
H10	0.110	0.966	-0.887
H11	0.919	-1.392	-0.879
H12	0.919	-1.392	0.879
H13	2.637	0.461	0.883
H14	2.637	0.461	-0.883
H15	3.233	-0.947	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4121	2.3330	3.6638	4.8525	1.0893	1.0978	1.0978	2.5909	2.5909	3.9294	3.9294	5.0267	5.0267	5.7711
O2	1.4121		1.4151	2.3874	3.7509	2.0273	2.0806	2.0806	2.0703	2.0703	2.6072	2.6072	4.0809	4.0809	4.5552
C3	2.3330	1.4151		1.5179	2.5207	3.2612	2.6194	2.6194	1.1012	1.1012	2.1340	2.1340	2.7848	2.7848	3.4728
C4	3.6638	2.3874	1.5179		1.5282	4.4145	4.0146	4.0146	2.1616	2.1616	1.0931	1.0931	2.1759	2.1759	2.1747
C5	4.8525	3.7509	2.5207	1.5282		5.7376	5.0332	5.0332	2.7649	2.7649	2.1676	2.1676	1.0932	1.0932	1.0913
H6	1.0893	2.0273	3.2612	4.4145	5.7376		1.7811	1.7811	3.5779	3.5779	4.5331	4.5331	5.9680	5.9680	6.5790
H7	1.0978	2.0806	2.6194	4.0146	5.0332	1.7811		1.7807	2.3910	2.9791	4.5303	4.1706	4.9665	5.2736	6.0015
H8	1.0978	2.0806	2.6194	4.0146	5.0332	1.7811	1.7807		2.9791	2.3910	4.1706	4.5303	5.2736	4.9665	6.0015
H9	2.5909	2.0703	1.1012	2.1616	2.7649	3.5779	2.3910	2.9791		1.7734	3.0543	2.4923	2.5772	3.1263	3.7673
H10	2.5909	2.0703	1.1012	2.1616	2.7649	3.5779	2.9791	2.3910	1.7734		2.4923	3.0543	3.1263	2.5772	3.7673
H11	3.9294	2.6072	2.1340	1.0931	2.1676	4.5331	4.5303	4.1706	3.0543	2.4923		1.7576	3.0801	2.5265	2.5145
H12	3.9294	2.6072	2.1340	1.0931	2.1676	4.5331	4.1706	4.5303	2.4923	3.0543	1.7576		2.5265	3.0801	2.5145
H13	5.0267	4.0809	2.7848	2.1759	1.0932	5.9680	4.9665	5.2736	2.5772	3.1263	3.0801	2.5265		1.7661	1.7647
H14	5.0267	4.0809	2.7848	2.1759	1.0932	5.9680	5.2736	4.9665	3.1263	2.5772	2.5265	3.0801	1.7661		1.7647
H15	5.7711	4.5552	3.4728	2.1747	1.0913	6.5790	6.0015	6.0015	3.7673	3.7673	2.5145	2.5145	1.7647	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.217	O2	C1	H6	107.578
O2	C1	H7	111.366	O2	C1	H8	111.366
O2	C3	C4	108.922	O2	C3	H9	110.103
O2	C3	H10	110.103	C3	C4	C5	111.681
C3	C4	H11	108.537	C3	C4	H12	108.537
C4	C3	H9	110.221	C4	C3	H10	110.221
C4	C5	H13	111.118	C4	C5	H14	111.118
C4	C5	H15	111.141	C5	C4	H11	110.463
C5	C4	H12	110.463	H6	C1	H7	109.047
H6	C1	H8	109.047	H7	C1	H8	108.390
H9	C3	H10	107.261	H11	C4	H12	107.014
H13	C5	H14	107.751	H13	C5	H15	107.775
H14	C5	H15	107.775

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

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