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	hartrees
Energy at 0K	-233.045266
Energy at 298.15K
HF Energy	-232.227192
Nuclear repulsion energy	189.230581

Atom	x (Å)	y (Å)	z (Å)
C1	-2.305	0.666	0.000
O2	-1.271	-0.287	0.000
C3	0.000	0.322	0.000
C4	1.065	-0.756	0.000
C5	2.470	-0.162	0.000
H6	-3.250	0.128	0.000
H7	-2.260	1.306	0.889
H8	-2.260	1.306	-0.889
H9	0.111	0.965	0.885
H10	0.111	0.965	-0.885
H11	0.919	-1.389	-0.877
H12	0.919	-1.389	0.877
H13	2.635	0.461	0.882
H14	2.635	0.461	-0.882
H15	3.228	-0.944	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4064	2.3306	3.6577	4.8466	1.0876	1.0961	1.0961	2.5899	2.5899	3.9226	3.9226	5.0222	5.0222	5.7631
O2	1.4064		1.4097	2.3826	3.7435	2.0221	2.0752	2.0752	2.0642	2.0642	2.6037	2.6037	4.0736	4.0736	4.5473
C3	2.3306	1.4097		1.5153	2.5173	3.2560	2.6200	2.6200	1.0991	1.0991	2.1311	2.1311	2.7820	2.7820	3.4681
C4	3.6577	2.3826	1.5153		1.5257	4.4047	4.0119	4.0119	2.1575	2.1575	1.0915	1.0915	2.1730	2.1730	2.1717
C5	4.8466	3.7435	2.5173	1.5257		5.7278	5.0317	5.0317	2.7605	2.7605	2.1637	2.1637	1.0917	1.0917	1.0897
H6	1.0876	2.0221	3.2560	4.4047	5.7278		1.7774	1.7774	3.5748	3.5748	4.5224	4.5224	5.9601	5.9601	6.5668
H7	1.0961	2.0752	2.6200	4.0119	5.0317	1.7774		1.7774	2.3948	2.9799	4.5261	4.1675	4.9672	5.2732	5.9980
H8	1.0961	2.0752	2.6200	4.0119	5.0317	1.7774	1.7774		2.9799	2.3948	4.1675	4.5261	5.2732	4.9672	5.9980
H9	2.5899	2.0642	1.0991	2.1575	2.7605	3.5748	2.3948	2.9799		1.7690	3.0493	2.4891	2.5742	3.1218	3.7617
H10	2.5899	2.0642	1.0991	2.1575	2.7605	3.5748	2.9799	2.3948	1.7690		2.4891	3.0493	3.1218	2.5742	3.7617
H11	3.9226	2.6037	2.1311	1.0915	2.1637	4.5224	4.5261	4.1675	3.0493	2.4891		1.7541	3.0754	2.5230	2.5100
H12	3.9226	2.6037	2.1311	1.0915	2.1637	4.5224	4.1675	4.5261	2.4891	3.0493	1.7541		2.5230	3.0754	2.5100
H13	5.0222	4.0736	2.7820	2.1730	1.0917	5.9601	4.9672	5.2732	2.5742	3.1218	3.0754	2.5230		1.7632	1.7619
H14	5.0222	4.0736	2.7820	2.1730	1.0917	5.9601	5.2732	4.9672	3.1218	2.5742	2.5230	3.0754	1.7632		1.7619
H15	5.7631	4.5473	3.4681	2.1717	1.0897	6.5668	5.9980	5.9980	3.7617	3.7617	2.5100	2.5100	1.7619	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.699	O2	C1	H6	107.660
O2	C1	H7	111.437	O2	C1	H8	111.437
O2	C3	C4	109.031	O2	C3	H9	110.105
O2	C3	H10	110.105	C3	C4	C5	111.740
C3	C4	H11	108.582	C3	C4	H12	108.582
C4	C3	H9	110.207	C4	C3	H10	110.207
C4	C5	H13	111.156	C4	C5	H14	111.156
C4	C5	H15	111.174	C5	C4	H11	110.427
C5	C4	H12	110.427	H6	C1	H7	108.955
H6	C1	H8	108.955	H7	C1	H8	108.342
H9	C3	H10	107.172	H11	C4	H12	106.935
H13	C5	H14	107.709	H13	C5	H15	107.739
H14	C5	H15	107.739

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

using model chemistry: QCISD/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/cc-pVTZ

States and conformations

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